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You searched for subject:(Drug virtual screening). Showing records 1 – 30 of 57 total matches.

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Vanderbilt University

1. Kaufmann, Kristian Wallace. Computational prediction of protein small molecule interfaces using ROSETTA.

Degree: PhD, Chemistry, 2011, Vanderbilt University

 Protein small molecule docking has focused on the modeling of small molecule flexibility and scoring of small molecules binding to fixed protein structures due to… (more)

Subjects/Keywords: homology modeling; virtual screening; drug design

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APA (6th Edition):

Kaufmann, K. W. (2011). Computational prediction of protein small molecule interfaces using ROSETTA. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu/available/etd-11092011-164742/ ;

Chicago Manual of Style (16th Edition):

Kaufmann, Kristian Wallace. “Computational prediction of protein small molecule interfaces using ROSETTA.” 2011. Doctoral Dissertation, Vanderbilt University. Accessed August 24, 2019. http://etd.library.vanderbilt.edu/available/etd-11092011-164742/ ;.

MLA Handbook (7th Edition):

Kaufmann, Kristian Wallace. “Computational prediction of protein small molecule interfaces using ROSETTA.” 2011. Web. 24 Aug 2019.

Vancouver:

Kaufmann KW. Computational prediction of protein small molecule interfaces using ROSETTA. [Internet] [Doctoral dissertation]. Vanderbilt University; 2011. [cited 2019 Aug 24]. Available from: http://etd.library.vanderbilt.edu/available/etd-11092011-164742/ ;.

Council of Science Editors:

Kaufmann KW. Computational prediction of protein small molecule interfaces using ROSETTA. [Doctoral Dissertation]. Vanderbilt University; 2011. Available from: http://etd.library.vanderbilt.edu/available/etd-11092011-164742/ ;


University of Cambridge

2. Chee, Xavier. Rational Development of New Inhibitors of Lipoteichoic Acid Synthase .

Degree: 2017, University of Cambridge

 Staphyloccocus aureus is an opportunisitic pathogen that causes soft skin and tissue infections (SSTI) such as endocarditis, osteomyelitis and meningitis. In recent years, the re-emergence… (more)

Subjects/Keywords: Virtual screening; Drug discovery; Antibiotics; Antimicrobial resistance; Computational drug design

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APA (6th Edition):

Chee, X. (2017). Rational Development of New Inhibitors of Lipoteichoic Acid Synthase . (Thesis). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/269766

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Chee, Xavier. “Rational Development of New Inhibitors of Lipoteichoic Acid Synthase .” 2017. Thesis, University of Cambridge. Accessed August 24, 2019. https://www.repository.cam.ac.uk/handle/1810/269766.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Chee, Xavier. “Rational Development of New Inhibitors of Lipoteichoic Acid Synthase .” 2017. Web. 24 Aug 2019.

Vancouver:

Chee X. Rational Development of New Inhibitors of Lipoteichoic Acid Synthase . [Internet] [Thesis]. University of Cambridge; 2017. [cited 2019 Aug 24]. Available from: https://www.repository.cam.ac.uk/handle/1810/269766.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chee X. Rational Development of New Inhibitors of Lipoteichoic Acid Synthase . [Thesis]. University of Cambridge; 2017. Available from: https://www.repository.cam.ac.uk/handle/1810/269766

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Canterbury

3. Reichau, Sebastian. Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase.

Degree: Chemistry, 2013, University of Canterbury

 The shikimate pathway is responsible for the biosynthesis of the aromatic amino acids and other aromatic metabolites in plants, micro-organisms and apicomplexan parasites. The shikimate… (more)

Subjects/Keywords: enzyme; drug; inhibitor; tuberculosis; antibiotic; shikimate pathway; crystallography; virtual screening

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APA (6th Edition):

Reichau, S. (2013). Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase. (Thesis). University of Canterbury. Retrieved from http://hdl.handle.net/10092/7896

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Reichau, Sebastian. “Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase.” 2013. Thesis, University of Canterbury. Accessed August 24, 2019. http://hdl.handle.net/10092/7896.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Reichau, Sebastian. “Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase.” 2013. Web. 24 Aug 2019.

Vancouver:

Reichau S. Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase. [Internet] [Thesis]. University of Canterbury; 2013. [cited 2019 Aug 24]. Available from: http://hdl.handle.net/10092/7896.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Reichau S. Inhibition and regulation of Mycobacterium tuberculosis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase. [Thesis]. University of Canterbury; 2013. Available from: http://hdl.handle.net/10092/7896

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Universitat Autònoma de Barcelona

4. Tunca, Guzin. A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method.

Degree: Departament de Medicina, 2012, Universitat Autònoma de Barcelona

Virtual screening plays a central role in the world of drug discovery today. In silico testing allows to screen millions of small molecules and to… (more)

Subjects/Keywords: Drug discovery; Virtual screening; Ligand binding; Ciències de la Salut; 577

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APA (6th Edition):

Tunca, G. (2012). A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method. (Thesis). Universitat Autònoma de Barcelona. Retrieved from http://hdl.handle.net/10803/284031

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Tunca, Guzin. “A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method.” 2012. Thesis, Universitat Autònoma de Barcelona. Accessed August 24, 2019. http://hdl.handle.net/10803/284031.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Tunca, Guzin. “A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method.” 2012. Web. 24 Aug 2019.

Vancouver:

Tunca G. A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method. [Internet] [Thesis]. Universitat Autònoma de Barcelona; 2012. [cited 2019 Aug 24]. Available from: http://hdl.handle.net/10803/284031.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Tunca G. A virtual screening procedure combining pharmacophore filtering and molecular docking with the LIE method. [Thesis]. Universitat Autònoma de Barcelona; 2012. Available from: http://hdl.handle.net/10803/284031

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Oxford

5. Ebejer, Jean-Paul. Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery.

Degree: PhD, 2014, University of Oxford

Drug discovery has witnessed an increase in the application of in silico methods to complement existing in vitro and in vivo experiments, in an attempt… (more)

Subjects/Keywords: 615.1; Bioinformatics (life sciences); computational chemistry; virtual screening; drug discovery

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APA (6th Edition):

Ebejer, J. (2014). Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:96d73300-f767-4ed6-8dda-a13a4aeb40e0 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596028

Chicago Manual of Style (16th Edition):

Ebejer, Jean-Paul. “Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery.” 2014. Doctoral Dissertation, University of Oxford. Accessed August 24, 2019. http://ora.ox.ac.uk/objects/uuid:96d73300-f767-4ed6-8dda-a13a4aeb40e0 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596028.

MLA Handbook (7th Edition):

Ebejer, Jean-Paul. “Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery.” 2014. Web. 24 Aug 2019.

Vancouver:

Ebejer J. Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery. [Internet] [Doctoral dissertation]. University of Oxford; 2014. [cited 2019 Aug 24]. Available from: http://ora.ox.ac.uk/objects/uuid:96d73300-f767-4ed6-8dda-a13a4aeb40e0 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596028.

Council of Science Editors:

Ebejer J. Data driven approaches to improve the drug discovery process : a virtual screening quest in drug discovery. [Doctoral Dissertation]. University of Oxford; 2014. Available from: http://ora.ox.ac.uk/objects/uuid:96d73300-f767-4ed6-8dda-a13a4aeb40e0 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596028

6. Totrov, Maxim. Computational studies on protein-ligand docking.

Degree: PhD, 1999, Open University

 This thesis describes the development and refinement of a number of techniques for molecular docking and ligand database screening, as well as the application of… (more)

Subjects/Keywords: 572; Virtual screening; Drug discovery

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APA (6th Edition):

Totrov, M. (1999). Computational studies on protein-ligand docking. (Doctoral Dissertation). Open University. Retrieved from http://oro.open.ac.uk/58005/ ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299012

Chicago Manual of Style (16th Edition):

Totrov, Maxim. “Computational studies on protein-ligand docking.” 1999. Doctoral Dissertation, Open University. Accessed August 24, 2019. http://oro.open.ac.uk/58005/ ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299012.

MLA Handbook (7th Edition):

Totrov, Maxim. “Computational studies on protein-ligand docking.” 1999. Web. 24 Aug 2019.

Vancouver:

Totrov M. Computational studies on protein-ligand docking. [Internet] [Doctoral dissertation]. Open University; 1999. [cited 2019 Aug 24]. Available from: http://oro.open.ac.uk/58005/ ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299012.

Council of Science Editors:

Totrov M. Computational studies on protein-ligand docking. [Doctoral Dissertation]. Open University; 1999. Available from: http://oro.open.ac.uk/58005/ ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299012


University of Wollongong

7. Rashad Ahmed, Adel Ahmed. The medicinal chemistry development for new antimicrobial chemotherapeutics.

Degree: PhD, 2014, University of Wollongong

  Chapter 2 discusses the synthesis of the arenearylpyrimidylmethanes (AAPMs) series was investigated to further develop the structure activity relationships (SAR) of these compounds as… (more)

Subjects/Keywords: Chikungunya virus; antiviral drug design; virtual screening; African sleeping sickness

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APA (6th Edition):

Rashad Ahmed, A. A. (2014). The medicinal chemistry development for new antimicrobial chemotherapeutics. (Doctoral Dissertation). University of Wollongong. Retrieved from 030401 Biologically Active Molecules, 030402 Biomolecular Modelling and Design, 030403 Characterisation of Biological Macromolecules ; https://ro.uow.edu.au/theses/4132

Chicago Manual of Style (16th Edition):

Rashad Ahmed, Adel Ahmed. “The medicinal chemistry development for new antimicrobial chemotherapeutics.” 2014. Doctoral Dissertation, University of Wollongong. Accessed August 24, 2019. 030401 Biologically Active Molecules, 030402 Biomolecular Modelling and Design, 030403 Characterisation of Biological Macromolecules ; https://ro.uow.edu.au/theses/4132.

MLA Handbook (7th Edition):

Rashad Ahmed, Adel Ahmed. “The medicinal chemistry development for new antimicrobial chemotherapeutics.” 2014. Web. 24 Aug 2019.

Vancouver:

Rashad Ahmed AA. The medicinal chemistry development for new antimicrobial chemotherapeutics. [Internet] [Doctoral dissertation]. University of Wollongong; 2014. [cited 2019 Aug 24]. Available from: 030401 Biologically Active Molecules, 030402 Biomolecular Modelling and Design, 030403 Characterisation of Biological Macromolecules ; https://ro.uow.edu.au/theses/4132.

Council of Science Editors:

Rashad Ahmed AA. The medicinal chemistry development for new antimicrobial chemotherapeutics. [Doctoral Dissertation]. University of Wollongong; 2014. Available from: 030401 Biologically Active Molecules, 030402 Biomolecular Modelling and Design, 030403 Characterisation of Biological Macromolecules ; https://ro.uow.edu.au/theses/4132


The Ohio State University

8. Mahasenan, Kiran V. Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design.

Degree: PhD, Pharmacy, 2012, The Ohio State University

 Discovery of novel drug candidates for a particular disease condition has traditionally been carried out by experimentally screening thousands of compounds for desired activity in… (more)

Subjects/Keywords: Pharmaceuticals; Pharmacy Sciences; structure-based drug design; computer-aided drug design; virtual screening; protein modeling

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APA (6th Edition):

Mahasenan, K. V. (2012). Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1332367560

Chicago Manual of Style (16th Edition):

Mahasenan, Kiran V. “Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design.” 2012. Doctoral Dissertation, The Ohio State University. Accessed August 24, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1332367560.

MLA Handbook (7th Edition):

Mahasenan, Kiran V. “Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design.” 2012. Web. 24 Aug 2019.

Vancouver:

Mahasenan KV. Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design. [Internet] [Doctoral dissertation]. The Ohio State University; 2012. [cited 2019 Aug 24]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1332367560.

Council of Science Editors:

Mahasenan KV. Discovery of novel small molecule enzyme inhibitors and receptor modulators through structure-based computational design. [Doctoral Dissertation]. The Ohio State University; 2012. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1332367560

9. Sanam, Ramadevi. Rational design of ZAP70 and HSP90 inhibitors.

Degree: 2010, Jawaharlal Nehru Technological University

Several virtual screening techniques are currently available to rapidly screen compounds from virtual compound databases. In virtual screening, computational models are used to predict the… (more)

Subjects/Keywords: ZAP70 kinase; Rational drug design; Pharmacophore Model; Docking Algorithms; Virtual screening; Cell culture

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APA (6th Edition):

Sanam, R. (2010). Rational design of ZAP70 and HSP90 inhibitors. (Thesis). Jawaharlal Nehru Technological University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/2437

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Sanam, Ramadevi. “Rational design of ZAP70 and HSP90 inhibitors.” 2010. Thesis, Jawaharlal Nehru Technological University. Accessed August 24, 2019. http://shodhganga.inflibnet.ac.in/handle/10603/2437.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Sanam, Ramadevi. “Rational design of ZAP70 and HSP90 inhibitors.” 2010. Web. 24 Aug 2019.

Vancouver:

Sanam R. Rational design of ZAP70 and HSP90 inhibitors. [Internet] [Thesis]. Jawaharlal Nehru Technological University; 2010. [cited 2019 Aug 24]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/2437.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Sanam R. Rational design of ZAP70 and HSP90 inhibitors. [Thesis]. Jawaharlal Nehru Technological University; 2010. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/2437

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Wollongong

10. Nguyen, Phuong Thuy Viet. In silico drug discovery targeting Chikungunya virus.

Degree: PhD, 2015, University of Wollongong

  In recent years, there has been an emergence or re-emergence of Chikungunya virus (CHIKV), a member of the alphavirus. The virus is one of… (more)

Subjects/Keywords: Chikungunya virus; in silico drug discovery; molecular docking; virtual screening; molecular dynamics simulations

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APA (6th Edition):

Nguyen, P. T. V. (2015). In silico drug discovery targeting Chikungunya virus. (Doctoral Dissertation). University of Wollongong. Retrieved from 0304 MEDICINAL AND BIOMOLECULAR CHEMISTRY ; https://ro.uow.edu.au/theses/4452

Chicago Manual of Style (16th Edition):

Nguyen, Phuong Thuy Viet. “In silico drug discovery targeting Chikungunya virus.” 2015. Doctoral Dissertation, University of Wollongong. Accessed August 24, 2019. 0304 MEDICINAL AND BIOMOLECULAR CHEMISTRY ; https://ro.uow.edu.au/theses/4452.

MLA Handbook (7th Edition):

Nguyen, Phuong Thuy Viet. “In silico drug discovery targeting Chikungunya virus.” 2015. Web. 24 Aug 2019.

Vancouver:

Nguyen PTV. In silico drug discovery targeting Chikungunya virus. [Internet] [Doctoral dissertation]. University of Wollongong; 2015. [cited 2019 Aug 24]. Available from: 0304 MEDICINAL AND BIOMOLECULAR CHEMISTRY ; https://ro.uow.edu.au/theses/4452.

Council of Science Editors:

Nguyen PTV. In silico drug discovery targeting Chikungunya virus. [Doctoral Dissertation]. University of Wollongong; 2015. Available from: 0304 MEDICINAL AND BIOMOLECULAR CHEMISTRY ; https://ro.uow.edu.au/theses/4452

11. Playe, Benoit. Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening.

Degree: Docteur es, Bio-informatiques, 2019, Paris Sciences et Lettres

Le processus de découverte de médicaments a un succès limité malgré tous les progrès réalisés. En effet, on estime actuellement que le développement d'un médicament… (more)

Subjects/Keywords: Criblage virtuel de médicament; Bio-informatique; Apprentissage statistique; Drug virtual screening; Bioinformatics; Machine learning; 570.15

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APA (6th Edition):

Playe, B. (2019). Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening. (Doctoral Dissertation). Paris Sciences et Lettres. Retrieved from http://www.theses.fr/2019PSLEM010

Chicago Manual of Style (16th Edition):

Playe, Benoit. “Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening.” 2019. Doctoral Dissertation, Paris Sciences et Lettres. Accessed August 24, 2019. http://www.theses.fr/2019PSLEM010.

MLA Handbook (7th Edition):

Playe, Benoit. “Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening.” 2019. Web. 24 Aug 2019.

Vancouver:

Playe B. Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening. [Internet] [Doctoral dissertation]. Paris Sciences et Lettres; 2019. [cited 2019 Aug 24]. Available from: http://www.theses.fr/2019PSLEM010.

Council of Science Editors:

Playe B. Méthodes d'apprentissage statistique pour le criblage virtuel de médicament : Machine learning approaches for drug virtual screening. [Doctoral Dissertation]. Paris Sciences et Lettres; 2019. Available from: http://www.theses.fr/2019PSLEM010


University of Illinois – Chicago

12. Mittal, Anuradha. Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes.

Degree: 2012, University of Illinois – Chicago

 The overall objective of this research is to develop new computational protocols that address some of the current challenges in computational drug design, and to… (more)

Subjects/Keywords: SARS; antibiotic resistance; computational drug design; hot spots; virtual screening; docking; pharmacophore screening; Severe acute respiratory syndrome

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APA (6th Edition):

Mittal, A. (2012). Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes. (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/9204

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Mittal, Anuradha. “Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes.” 2012. Thesis, University of Illinois – Chicago. Accessed August 24, 2019. http://hdl.handle.net/10027/9204.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Mittal, Anuradha. “Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes.” 2012. Web. 24 Aug 2019.

Vancouver:

Mittal A. Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes. [Internet] [Thesis]. University of Illinois – Chicago; 2012. [cited 2019 Aug 24]. Available from: http://hdl.handle.net/10027/9204.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mittal A. Development and Application of Computational Drug Design Methods Against Microbial Pathogen Enzymes. [Thesis]. University of Illinois – Chicago; 2012. Available from: http://hdl.handle.net/10027/9204

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Cambridge

13. Radoux, Christopher John. The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design.

Degree: PhD, 2017, University of Cambridge

 Locating a ligand-binding site is an important first step in structure-guided drug discovery, but current methods typically assess the pocket as a whole, doing little… (more)

Subjects/Keywords: FBDD; SBDD; Fragment-Based Drug Design; Structure-Based Drug Design; Protein; Hotspots; Computational Chemistry; Virtual Screening; Protein Crystallography

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APA (6th Edition):

Radoux, C. J. (2017). The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/275133 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.745043

Chicago Manual of Style (16th Edition):

Radoux, Christopher John. “The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design.” 2017. Doctoral Dissertation, University of Cambridge. Accessed August 24, 2019. https://www.repository.cam.ac.uk/handle/1810/275133 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.745043.

MLA Handbook (7th Edition):

Radoux, Christopher John. “The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design.” 2017. Web. 24 Aug 2019.

Vancouver:

Radoux CJ. The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design. [Internet] [Doctoral dissertation]. University of Cambridge; 2017. [cited 2019 Aug 24]. Available from: https://www.repository.cam.ac.uk/handle/1810/275133 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.745043.

Council of Science Editors:

Radoux CJ. The automatic detection of small molecule binding hotspots on proteins : applying hotspots to structure-based drug design. [Doctoral Dissertation]. University of Cambridge; 2017. Available from: https://www.repository.cam.ac.uk/handle/1810/275133 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.745043

14. Silva, Vinicius Barreto da. Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes.

Degree: Mestrado, Física Biológica, 2008, University of São Paulo

O Projeto Genoma Humano do Câncer (PGHC), financiado pela FAPESP e pelo Instituto Ludwig de Pesquisa sobre o câncer, buscou identificar os genes expressos nos… (more)

Subjects/Keywords: Cancer; Câncer; hnRNP K; hnRNP K; modelagem molecular; Molecular modeling; Planejamento de fármacos baseado em estrutura; screening virtual; Structure-based drug design.; Virtual screening

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APA (6th Edition):

Silva, V. B. d. (2008). Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/60/60136/tde-02102008-164529/ ;

Chicago Manual of Style (16th Edition):

Silva, Vinicius Barreto da. “Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes.” 2008. Masters Thesis, University of São Paulo. Accessed August 24, 2019. http://www.teses.usp.br/teses/disponiveis/60/60136/tde-02102008-164529/ ;.

MLA Handbook (7th Edition):

Silva, Vinicius Barreto da. “Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes.” 2008. Web. 24 Aug 2019.

Vancouver:

Silva VBd. Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes. [Internet] [Masters thesis]. University of São Paulo; 2008. [cited 2019 Aug 24]. Available from: http://www.teses.usp.br/teses/disponiveis/60/60136/tde-02102008-164529/ ;.

Council of Science Editors:

Silva VBd. Estudos de modelagem molecular e relação estrutura atividade da oncoproteína hnRNP K e ligantes. [Masters Thesis]. University of São Paulo; 2008. Available from: http://www.teses.usp.br/teses/disponiveis/60/60136/tde-02102008-164529/ ;


Universitat Rovira i Virgili

15. Cereto Massagué, Adrià. Development of tools for in silico drug discovery.

Degree: Departament de Bioquímica i Biotecnologia, 2017, Universitat Rovira i Virgili

Virtual screening is a cheminformatics method that consists of screening large small-molecule databases for bioactive molecules. This enables the researcher to avoid the cost of… (more)

Subjects/Keywords: Cribratge virtual; Pesca de dianes; Descobriment de fàrmacs; Cribado virtual; Pesca de dianas; Descubrimiento de fármacos; Virtual screening; Target fishing; Drug discovery; Ciències de la salut; 004; 5; 547; 577

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Cereto Massagué, A. (2017). Development of tools for in silico drug discovery. (Thesis). Universitat Rovira i Virgili. Retrieved from http://hdl.handle.net/10803/454678

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Cereto Massagué, Adrià. “Development of tools for in silico drug discovery.” 2017. Thesis, Universitat Rovira i Virgili. Accessed August 24, 2019. http://hdl.handle.net/10803/454678.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Cereto Massagué, Adrià. “Development of tools for in silico drug discovery.” 2017. Web. 24 Aug 2019.

Vancouver:

Cereto Massagué A. Development of tools for in silico drug discovery. [Internet] [Thesis]. Universitat Rovira i Virgili; 2017. [cited 2019 Aug 24]. Available from: http://hdl.handle.net/10803/454678.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Cereto Massagué A. Development of tools for in silico drug discovery. [Thesis]. Universitat Rovira i Virgili; 2017. Available from: http://hdl.handle.net/10803/454678

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Texas Medical Center

16. Morrow, John K. Targeting TRAF6 for Cancer Therapeutical Development.

Degree: MS, 2012, Texas Medical Center

  Tumor necrosis factor (TNF)-Receptor Associated Factors (TRAFs) are a family of signal transducer proteins. TRAF6 is a unique member of this family in that… (more)

Subjects/Keywords: TRAF6; virtual screening; drug design; hot spots; molecular dynamics; QSAR modeling; rational drug design; Medicine and Health Sciences; Pharmaceutics and Drug Design

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APA (6th Edition):

Morrow, J. K. (2012). Targeting TRAF6 for Cancer Therapeutical Development. (Masters Thesis). Texas Medical Center. Retrieved from http://digitalcommons.library.tmc.edu/utgsbs_dissertations/293

Chicago Manual of Style (16th Edition):

Morrow, John K. “Targeting TRAF6 for Cancer Therapeutical Development.” 2012. Masters Thesis, Texas Medical Center. Accessed August 24, 2019. http://digitalcommons.library.tmc.edu/utgsbs_dissertations/293.

MLA Handbook (7th Edition):

Morrow, John K. “Targeting TRAF6 for Cancer Therapeutical Development.” 2012. Web. 24 Aug 2019.

Vancouver:

Morrow JK. Targeting TRAF6 for Cancer Therapeutical Development. [Internet] [Masters thesis]. Texas Medical Center; 2012. [cited 2019 Aug 24]. Available from: http://digitalcommons.library.tmc.edu/utgsbs_dissertations/293.

Council of Science Editors:

Morrow JK. Targeting TRAF6 for Cancer Therapeutical Development. [Masters Thesis]. Texas Medical Center; 2012. Available from: http://digitalcommons.library.tmc.edu/utgsbs_dissertations/293


University of Cincinnati

17. CHHABRA, MONICA. Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design.

Degree: MS, Engineering : Computer Science, 2008, University of Cincinnati

 Noroviruses have been recognized as the most important cause of non-bacterial epidemic acute gastroenteritis, affecting individuals of all ages. With the identification of trisaccharides' binding… (more)

Subjects/Keywords: Bioinformatics; Biomedical Research; Computer Science; Molecules; Virology; norovirus; docking; norwalk virus; va387; nlv; virtual high throughput screening; computer aided drug design; antiviral drug; drug design; gastroenteritis; cadd

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

CHHABRA, M. (2008). Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design. (Masters Thesis). University of Cincinnati. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ucin1209001634

Chicago Manual of Style (16th Edition):

CHHABRA, MONICA. “Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design.” 2008. Masters Thesis, University of Cincinnati. Accessed August 24, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1209001634.

MLA Handbook (7th Edition):

CHHABRA, MONICA. “Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design.” 2008. Web. 24 Aug 2019.

Vancouver:

CHHABRA M. Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design. [Internet] [Masters thesis]. University of Cincinnati; 2008. [cited 2019 Aug 24]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1209001634.

Council of Science Editors:

CHHABRA M. Modeling and Analysis of Ligand Docking to Norovirus Capsid Protein for the Computer-Aided Drug Design. [Masters Thesis]. University of Cincinnati; 2008. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1209001634


University of Alberta

18. Barakat, Khaled H. Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy.

Degree: PhD, Department of Physics, 2012, University of Alberta

 Developing a new drug is a complex, highly structured, and expensive task. The further a potential drug progresses in the development process, the more costly… (more)

Subjects/Keywords: ERCC1; Drug Design; Virtual Screening; MDM4; MDM2; P53; In Silico; NER; DNA repair; DNA pol beta; Inhibitor

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Barakat, K. H. (2012). Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy. (Doctoral Dissertation). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/q811kj65k

Chicago Manual of Style (16th Edition):

Barakat, Khaled H. “Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy.” 2012. Doctoral Dissertation, University of Alberta. Accessed August 24, 2019. https://era.library.ualberta.ca/files/q811kj65k.

MLA Handbook (7th Edition):

Barakat, Khaled H. “Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy.” 2012. Web. 24 Aug 2019.

Vancouver:

Barakat KH. Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy. [Internet] [Doctoral dissertation]. University of Alberta; 2012. [cited 2019 Aug 24]. Available from: https://era.library.ualberta.ca/files/q811kj65k.

Council of Science Editors:

Barakat KH. Computational High Throughput Screening Targeting DNA Repair Proteins To Improve Cancer Therapy. [Doctoral Dissertation]. University of Alberta; 2012. Available from: https://era.library.ualberta.ca/files/q811kj65k


Univerzitet u Beogradu

19. Gagić, Žarko P., 1985-. Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola.

Degree: Farmaceutski fakultet, 2018, Univerzitet u Beogradu

armacija - Farmaceutska-medicinska hemija i strukturna analiza / Pharmacy - Pharmaceutical-medicinal chemistry and structural analysis

min E je generičko ime koje obuhvata dve klase jedinjenja,… (more)

Subjects/Keywords: esters of vitamin E; synthesis; amino acids; cancer; antitumor activity; virtual screening; QSAR; pharmacophore; drug design

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Gagić, Žarko P., 1. (2018). Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:17751/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Gagić, Žarko P., 1985-. “Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola.” 2018. Thesis, Univerzitet u Beogradu. Accessed August 24, 2019. https://fedorabg.bg.ac.rs/fedora/get/o:17751/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Gagić, Žarko P., 1985-. “Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola.” 2018. Web. 24 Aug 2019.

Vancouver:

Gagić, Žarko P. 1. Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola. [Internet] [Thesis]. Univerzitet u Beogradu; 2018. [cited 2019 Aug 24]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:17751/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gagić, Žarko P. 1. Određivanje strukture farmakofore, dizajn, sinteza i ispitivanje antiproliferativne aktivnosti derivata alfa-tokoferola i gama-tokotrienola. [Thesis]. Univerzitet u Beogradu; 2018. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:17751/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of California – Riverside

20. Gorham Jr, Ronald Dennis. Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics.

Degree: Bioengineering, 2013, University of California – Riverside

 Protein-protein interactions play a crucial role in most biological functions. Structural biology provides a glimpse into the atomic world, helping to further understand the relation… (more)

Subjects/Keywords: Biomedical engineering; Biophysics; Bioinformatics; complement system; drug design; electrostatics; molecular dynamics; protein-protein interactions; virtual screening

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APA (6th Edition):

Gorham Jr, R. D. (2013). Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics. (Thesis). University of California – Riverside. Retrieved from http://www.escholarship.org/uc/item/6cw475n3

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Gorham Jr, Ronald Dennis. “Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics.” 2013. Thesis, University of California – Riverside. Accessed August 24, 2019. http://www.escholarship.org/uc/item/6cw475n3.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Gorham Jr, Ronald Dennis. “Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics.” 2013. Web. 24 Aug 2019.

Vancouver:

Gorham Jr RD. Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics. [Internet] [Thesis]. University of California – Riverside; 2013. [cited 2019 Aug 24]. Available from: http://www.escholarship.org/uc/item/6cw475n3.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gorham Jr RD. Mechanistic Exploration of Complement System Interactions and Design of Complement-Targeted Therapeutics. [Thesis]. University of California – Riverside; 2013. Available from: http://www.escholarship.org/uc/item/6cw475n3

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of South Carolina

21. Atilgan, Emrah. Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm.

Degree: MS, Computer Science and Engineering, 2009, University of South Carolina

  AutoDock is a widely used automated protein docking program in structure-based drug-design. Different search algorithms, such as Simulated Annealing, traditional Genetic Algorithm and Lamarckian… (more)

Subjects/Keywords: Computer Sciences; Electrical and Computer Engineering; Engineering; Physical Sciences and Mathematics; ALPS; AutoDock; drug design; evolutionary algorithms; molecular docking; virtual screening

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APA (6th Edition):

Atilgan, E. (2009). Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm. (Masters Thesis). University of South Carolina. Retrieved from https://scholarcommons.sc.edu/etd/3

Chicago Manual of Style (16th Edition):

Atilgan, Emrah. “Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm.” 2009. Masters Thesis, University of South Carolina. Accessed August 24, 2019. https://scholarcommons.sc.edu/etd/3.

MLA Handbook (7th Edition):

Atilgan, Emrah. “Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm.” 2009. Web. 24 Aug 2019.

Vancouver:

Atilgan E. Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm. [Internet] [Masters thesis]. University of South Carolina; 2009. [cited 2019 Aug 24]. Available from: https://scholarcommons.sc.edu/etd/3.

Council of Science Editors:

Atilgan E. Improving Protein Docking Using Efficient Sustainable Evolutionary Algorithm. [Masters Thesis]. University of South Carolina; 2009. Available from: https://scholarcommons.sc.edu/etd/3

22. Fernandes, William Borges. Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X.

Degree: PhD, Química Orgânica e Biológica, 2015, University of São Paulo

 A cruzaína, principal cisteíno protease do Trypanosoma cruzi, é um alvo terapêutico validado para o tratamento da doença de Chagas. Grande parte dos inibidores desta… (more)

Subjects/Keywords: Chagas disease; Cristalografia de proteínas; cruzain; cruzaína; doença de Chagas; drug design; mode of binding; virtual screening; modo de interação; planejamento de fármacos.; Protein crystallography; triagem virtual

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APA (6th Edition):

Fernandes, W. B. (2015). Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75133/tde-28082015-081328/ ;

Chicago Manual of Style (16th Edition):

Fernandes, William Borges. “Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X.” 2015. Doctoral Dissertation, University of São Paulo. Accessed August 24, 2019. http://www.teses.usp.br/teses/disponiveis/75/75133/tde-28082015-081328/ ;.

MLA Handbook (7th Edition):

Fernandes, William Borges. “Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X.” 2015. Web. 24 Aug 2019.

Vancouver:

Fernandes WB. Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X. [Internet] [Doctoral dissertation]. University of São Paulo; 2015. [cited 2019 Aug 24]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75133/tde-28082015-081328/ ;.

Council of Science Editors:

Fernandes WB. Determinação do modo de interação de inibidores reversíveis da cruzaína de Trypanosoma cruzi via cristalografia de raios X. [Doctoral Dissertation]. University of São Paulo; 2015. Available from: http://www.teses.usp.br/teses/disponiveis/75/75133/tde-28082015-081328/ ;

23. CHEN XIN. Computer aided drug design: Drug target directed in silico approaches.

Degree: 2004, National University of Singapore

Subjects/Keywords: Computer aided drug design; Drug target; Database design; Statistical learning; Virtual screening; Docking.

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APA (6th Edition):

XIN, C. (2004). Computer aided drug design: Drug target directed in silico approaches. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/13687

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

XIN, CHEN. “Computer aided drug design: Drug target directed in silico approaches.” 2004. Thesis, National University of Singapore. Accessed August 24, 2019. http://scholarbank.nus.edu.sg/handle/10635/13687.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

XIN, CHEN. “Computer aided drug design: Drug target directed in silico approaches.” 2004. Web. 24 Aug 2019.

Vancouver:

XIN C. Computer aided drug design: Drug target directed in silico approaches. [Internet] [Thesis]. National University of Singapore; 2004. [cited 2019 Aug 24]. Available from: http://scholarbank.nus.edu.sg/handle/10635/13687.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

XIN C. Computer aided drug design: Drug target directed in silico approaches. [Thesis]. National University of Singapore; 2004. Available from: http://scholarbank.nus.edu.sg/handle/10635/13687

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

24. Perrier, Julie. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.

Degree: Docteur es, Bioinformatique/Immunologie, 2014, Paris, CNAM

Les biothérapies (anticorps monoclonaux, récepteurs solubles) ciblant les cytokines IL-6 etTNF-alpha pour le traitement des maladies inflammatoires chroniques ont constitué un succèsmajeur de l’industrie pharmaceutique.… (more)

Subjects/Keywords: Petite molécule; Inhibitor; Interleukine 6; Tumor necrosis factor alpha; Criblage expérimental; Criblage virtuel; Inflammation; Drug discovery; Small molecule; Inhibitor; Interleukine 6; Tumor necrosis factor alpha; Experimental screening; Virtual Screening; Inflammation; Drug discovery; 570

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Perrier, J. (2014). Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. (Doctoral Dissertation). Paris, CNAM. Retrieved from http://www.theses.fr/2014CNAM0978

Chicago Manual of Style (16th Edition):

Perrier, Julie. “Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.” 2014. Doctoral Dissertation, Paris, CNAM. Accessed August 24, 2019. http://www.theses.fr/2014CNAM0978.

MLA Handbook (7th Edition):

Perrier, Julie. “Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.” 2014. Web. 24 Aug 2019.

Vancouver:

Perrier J. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. [Internet] [Doctoral dissertation]. Paris, CNAM; 2014. [cited 2019 Aug 24]. Available from: http://www.theses.fr/2014CNAM0978.

Council of Science Editors:

Perrier J. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. [Doctoral Dissertation]. Paris, CNAM; 2014. Available from: http://www.theses.fr/2014CNAM0978

25. Perrier, Julie. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.

Degree: Docteur es, Bioinformatique/Immunologie, 2014, Paris, CNAM

Les biothérapies (anticorps monoclonaux, récepteurs solubles) ciblant les cytokines IL-6 etTNF-alpha pour le traitement des maladies inflammatoires chroniques ont constitué un succèsmajeur de l’industrie pharmaceutique.… (more)

Subjects/Keywords: Petite molécule; Inhibitor; Interleukine 6; Tumor necrosis factor alpha; Criblage expérimental; Criblage virtuel; Inflammation; Drug discovery; Small molecule; Inhibitor; Interleukine 6; Tumor necrosis factor alpha; Experimental screening; Virtual Screening; Inflammation; Drug discovery; 570

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Perrier, J. (2014). Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. (Doctoral Dissertation). Paris, CNAM. Retrieved from http://www.theses.fr/2015CNAM0978

Chicago Manual of Style (16th Edition):

Perrier, Julie. “Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.” 2014. Doctoral Dissertation, Paris, CNAM. Accessed August 24, 2019. http://www.theses.fr/2015CNAM0978.

MLA Handbook (7th Edition):

Perrier, Julie. “Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6.” 2014. Web. 24 Aug 2019.

Vancouver:

Perrier J. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. [Internet] [Doctoral dissertation]. Paris, CNAM; 2014. [cited 2019 Aug 24]. Available from: http://www.theses.fr/2015CNAM0978.

Council of Science Editors:

Perrier J. Criblage virtuel et expérimental de chimiothèques pour le développement d’inhibiteurs des cytokines TNF-alpha et IL-6. : Virtual and experimental screening of chemical libraries for the development of inhibitors of cytokines TNF-alpha and IL-6. [Doctoral Dissertation]. Paris, CNAM; 2014. Available from: http://www.theses.fr/2015CNAM0978


Universidade Nova

26. Ramos, João Carlos Moreno. Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins.

Degree: 2017, Universidade Nova

Drug research has evolved significantly in the last decades toward the concept of the rational design of drugs. The capability to study molecular interactions at… (more)

Subjects/Keywords: structure-based drug design; virtual screening; anti-cancerous activity; B-cell lymphoma 2; antibiotic resistance; LytR; Domínio/Área Científica::Engenharia e Tecnologia::Engenharia Química

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APA (6th Edition):

Ramos, J. C. M. (2017). Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins. (Thesis). Universidade Nova. Retrieved from https://www.rcaap.pt/detail.jsp?id=oai:run.unl.pt:10362/25622

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Ramos, João Carlos Moreno. “Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins.” 2017. Thesis, Universidade Nova. Accessed August 24, 2019. https://www.rcaap.pt/detail.jsp?id=oai:run.unl.pt:10362/25622.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Ramos, João Carlos Moreno. “Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins.” 2017. Web. 24 Aug 2019.

Vancouver:

Ramos JCM. Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins. [Internet] [Thesis]. Universidade Nova; 2017. [cited 2019 Aug 24]. Available from: https://www.rcaap.pt/detail.jsp?id=oai:run.unl.pt:10362/25622.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ramos JCM. Structure based drug design for the discovery of promising inhibitors of human Bcl-2 and Streptococcus dysgalactiae LytR proteins. [Thesis]. Universidade Nova; 2017. Available from: https://www.rcaap.pt/detail.jsp?id=oai:run.unl.pt:10362/25622

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

27. Kritsi, Eftychia. Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους.

Degree: 2017, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ)

The present thesis focuses on the identification of hit compounds for three biological targets using a combination of in silico techniques and methodologies. The selected… (more)

Subjects/Keywords: Μοριακός σχεδιασμός; Εικονική σάρωση; Φαρμακοφόρα μοντέλα; Πρόδρομες βιοδραστικές ενώσεις; Αντιυπερτασικά; Αντιμικροβιακά; Αντιϊκά; Structure based drug design; Virtual screening; Pharmacophore modeling; Hit compounds; Antihypertensives; Antiviral; Antimicrobial

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Kritsi, E. (2017). Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους. (Thesis). National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Retrieved from http://hdl.handle.net/10442/hedi/40331

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Kritsi, Eftychia. “Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους.” 2017. Thesis, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Accessed August 24, 2019. http://hdl.handle.net/10442/hedi/40331.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Kritsi, Eftychia. “Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους.” 2017. Web. 24 Aug 2019.

Vancouver:

Kritsi E. Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους. [Internet] [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2017. [cited 2019 Aug 24]. Available from: http://hdl.handle.net/10442/hedi/40331.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kritsi E. Υπολογιστικά εργαλεία για την αναζήτηση νέων βιοδραστικών ενώσεων σε επιλεγμένους πρωτεϊνικούς στόχους. [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2017. Available from: http://hdl.handle.net/10442/hedi/40331

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

28. Σπηλίου, Αθηνά. Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ.

Degree: 2006, University of Patras

Στα πλαίσια της συγκεκριμένης μεταπτυχιακής εργασίας μελετήθηκαν αλγόριθμοι και εργαλεία σχεδίασης φαρμάκων με τη βοήθεια Η/Υ που υπάρχουν στη διεθνή βιβλιογραφία. Η μελέτη εστιάστηκε σε… (more)

Subjects/Keywords: Σχεδίαση φαρμάκων; Μοριακή αναγνώριση; Αλγόριθμοι; 615.19; Drug design; Docking; Algorithms; Virtual screening

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Σπηλίου, . (2006). Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ. (Masters Thesis). University of Patras. Retrieved from http://nemertes.lis.upatras.gr/jspui/handle/10889/456

Chicago Manual of Style (16th Edition):

Σπηλίου, Αθηνά. “Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ.” 2006. Masters Thesis, University of Patras. Accessed August 24, 2019. http://nemertes.lis.upatras.gr/jspui/handle/10889/456.

MLA Handbook (7th Edition):

Σπηλίου, Αθηνά. “Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ.” 2006. Web. 24 Aug 2019.

Vancouver:

Σπηλίου . Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ. [Internet] [Masters thesis]. University of Patras; 2006. [cited 2019 Aug 24]. Available from: http://nemertes.lis.upatras.gr/jspui/handle/10889/456.

Council of Science Editors:

Σπηλίου . Παρουσίαση και συγκριτική αξιολόγηση αλγορίθμων και εργαλείων αναζήτησης μοριακών προσδεμάτων με εφαρμογή στο σχεδιασμό φαρμάκων με τη βοήθεια Η/Υ. [Masters Thesis]. University of Patras; 2006. Available from: http://nemertes.lis.upatras.gr/jspui/handle/10889/456

29. Empereur-Mot, Charly. Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer.

Degree: Docteur es, Biochimie et biologie moléculaire. Bioinformatique, 2017, Paris, CNAM

Les méthodes de criblage virtuel sont largement utilisées dans le processus de conception de médicaments afin de réduire le nombre de composés à tester expérimentalement.… (more)

Subjects/Keywords: Criblage virtuel; Maladies du système immunitaire; Conception de médicaments; Petites molécules; Métriques d'évaluation statistiques; Virtual screening; Autoimmune diseases; Drug design; Small molecular compounds; Statistical benchmarking metrics; 615.19; 570.151 95

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Empereur-Mot, C. (2017). Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer. (Doctoral Dissertation). Paris, CNAM. Retrieved from http://www.theses.fr/2017CNAM1126

Chicago Manual of Style (16th Edition):

Empereur-Mot, Charly. “Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer.” 2017. Doctoral Dissertation, Paris, CNAM. Accessed August 24, 2019. http://www.theses.fr/2017CNAM1126.

MLA Handbook (7th Edition):

Empereur-Mot, Charly. “Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer.” 2017. Web. 24 Aug 2019.

Vancouver:

Empereur-Mot C. Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer. [Internet] [Doctoral dissertation]. Paris, CNAM; 2017. [cited 2019 Aug 24]. Available from: http://www.theses.fr/2017CNAM1126.

Council of Science Editors:

Empereur-Mot C. Développement d’outils statistiques d’évaluation de méthodes de criblage virtuel : courbes de prédictivité & Screening Explorer : Development of statistical tools for the evaluation of virtual screening methods : predictiveness curves & Screening Explorer. [Doctoral Dissertation]. Paris, CNAM; 2017. Available from: http://www.theses.fr/2017CNAM1126


University of Florida

30. Hegazy, Lamees. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.

Degree: PhD, Chemistry, 2013, University of Florida

 Asparagine synthetase (ASNS), which mediates the biosynthesis of L-asparagine, has become of increasing interest as a drug target. Overexpression of ASNS was observed in ASNase-resistant… (more)

Subjects/Keywords: Active sites; Atoms; Docking; Enzymes; Hydrogen; Ligands; Molecular interactions; Molecules; Parametric models; Simulations; asparagine  – biochemistry  – computational  – design  – discovery  – docking  – drug  – dynamics  – inhibitors  – leukemia  – modeling  – screening  – simulations  – synthetase  – virtual

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Hegazy, L. (2013). Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0046098

Chicago Manual of Style (16th Edition):

Hegazy, Lamees. “Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.” 2013. Doctoral Dissertation, University of Florida. Accessed August 24, 2019. http://ufdc.ufl.edu/UFE0046098.

MLA Handbook (7th Edition):

Hegazy, Lamees. “Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.” 2013. Web. 24 Aug 2019.

Vancouver:

Hegazy L. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. [Internet] [Doctoral dissertation]. University of Florida; 2013. [cited 2019 Aug 24]. Available from: http://ufdc.ufl.edu/UFE0046098.

Council of Science Editors:

Hegazy L. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. [Doctoral Dissertation]. University of Florida; 2013. Available from: http://ufdc.ufl.edu/UFE0046098

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