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You searched for subject:(docking models). Showing records 1 – 13 of 13 total matches.

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University of Texas Southwestern Medical Center

1. Subramanian, Subramanian Kanagarajan. Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design.

Degree: 2017, University of Texas Southwestern Medical Center

Note: The general metadata  – e.g., title, author, abstract, subject headings, etc.  – is publicly available, but access to the submitted files is restricted to… (more)

Subjects/Keywords: Evolution, Molecular; GTP-Binding Proteins; Models, Chemical; Molecular Docking Simulation; Sequence Analysis, Protein

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

APA (6th Edition):

Subramanian, S. K. (2017). Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design. (Thesis). University of Texas Southwestern Medical Center. Retrieved from http://hdl.handle.net/2152.5/7087

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):

Subramanian, Subramanian Kanagarajan. “Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design.” 2017. Thesis, University of Texas Southwestern Medical Center. Accessed August 11, 2020. http://hdl.handle.net/2152.5/7087.

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

MLA Handbook (7th Edition):

Subramanian, Subramanian Kanagarajan. “Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design.” 2017. Web. 11 Aug 2020.

Vancouver:

Subramanian SK. Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design. [Internet] [Thesis]. University of Texas Southwestern Medical Center; 2017. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/2152.5/7087.

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

Council of Science Editors:

Subramanian SK. Distinct Functional Phases in Proteins: A Test by Large-Scale Protein Design. [Thesis]. University of Texas Southwestern Medical Center; 2017. Available from: http://hdl.handle.net/2152.5/7087

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


University of Florida

2. 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 (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 https://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 11, 2020. https://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. 11 Aug 2020.

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 2020 Aug 11]. Available from: https://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: https://ufdc.ufl.edu/UFE0046098


Washington University in St. Louis

3. Wong, Diana. The Interaction of Cofilin with the Actin Filament.

Degree: PhD, Biomedical Engineering, 2011, Washington University in St. Louis

 The regulation of filamentous actin: F-actin) production from the polymerization of globular actin: G-actin) within the cell is critical for many cell functions. Since actin… (more)

Subjects/Keywords: Biophysics; Bioinformatics; Biomedical Engineering; cofilin; computational structural biology; docking models; F-actin; filament dynamics; molecular dynamics simulations

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APA (6th Edition):

Wong, D. (2011). The Interaction of Cofilin with the Actin Filament. (Doctoral Dissertation). Washington University in St. Louis. Retrieved from https://openscholarship.wustl.edu/etd/902

Chicago Manual of Style (16th Edition):

Wong, Diana. “The Interaction of Cofilin with the Actin Filament.” 2011. Doctoral Dissertation, Washington University in St. Louis. Accessed August 11, 2020. https://openscholarship.wustl.edu/etd/902.

MLA Handbook (7th Edition):

Wong, Diana. “The Interaction of Cofilin with the Actin Filament.” 2011. Web. 11 Aug 2020.

Vancouver:

Wong D. The Interaction of Cofilin with the Actin Filament. [Internet] [Doctoral dissertation]. Washington University in St. Louis; 2011. [cited 2020 Aug 11]. Available from: https://openscholarship.wustl.edu/etd/902.

Council of Science Editors:

Wong D. The Interaction of Cofilin with the Actin Filament. [Doctoral Dissertation]. Washington University in St. Louis; 2011. Available from: https://openscholarship.wustl.edu/etd/902


Univerzitet u Beogradu

4. Dobričić, Vladimir D., 1984-. Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida.

Degree: Farmaceutski fakultet, 2015, Univerzitet u Beogradu

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

Primena konvecionalnih glukokortikoida je pra'ena brojnim lokalnim i sistemskim neželjenim efektima...

Advisors/Committee Members: Čudina, Olivera, 1964-.

Subjects/Keywords: cortienic acid amines; docking; affinity for the glucocorticoid receptor; synthesis; lipophilicity; skin permeability and retention; QSPR and QSRR models; local anti-inflammatory activity; 3D-QSAR

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APA (6th Edition):

Dobričić, Vladimir D., 1. (2015). Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:9433/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):

Dobričić, Vladimir D., 1984-. “Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida.” 2015. Thesis, Univerzitet u Beogradu. Accessed August 11, 2020. https://fedorabg.bg.ac.rs/fedora/get/o:9433/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):

Dobričić, Vladimir D., 1984-. “Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida.” 2015. Web. 11 Aug 2020.

Vancouver:

Dobričić, Vladimir D. 1. Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida. [Internet] [Thesis]. Univerzitet u Beogradu; 2015. [cited 2020 Aug 11]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:9433/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:

Dobričić, Vladimir D. 1. Dizajniranje, sinteza, fizičko-hemijske i biološke osobine amida kortienskih kiselina antiflamatornih steroida. [Thesis]. Univerzitet u Beogradu; 2015. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:9433/bdef:Content/get

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


University of Michigan

5. Gagnon, Jessica K. Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces.

Degree: PhD, Chemistry, 2015, University of Michigan

 Protein-protein interactions are integral for cellular function, playing a huge role in processes such as cell signaling and transcription regulation. Targeting these essential interactions with… (more)

Subjects/Keywords: flexible receptor docking development; CHARMM simulation package; computational biophysics; protein-ligand interactions; KIX domain of CREB binding protein; coarse-grained go-like models; Chemistry; Science

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APA (6th Edition):

Gagnon, J. K. (2015). Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/116710

Chicago Manual of Style (16th Edition):

Gagnon, Jessica K. “Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces.” 2015. Doctoral Dissertation, University of Michigan. Accessed August 11, 2020. http://hdl.handle.net/2027.42/116710.

MLA Handbook (7th Edition):

Gagnon, Jessica K. “Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces.” 2015. Web. 11 Aug 2020.

Vancouver:

Gagnon JK. Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces. [Internet] [Doctoral dissertation]. University of Michigan; 2015. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/2027.42/116710.

Council of Science Editors:

Gagnon JK. Flexible Receptor Docking Method Development and Molecular Dynamics Studies Towards Targeting Dynamic Protein Surfaces. [Doctoral Dissertation]. University of Michigan; 2015. Available from: http://hdl.handle.net/2027.42/116710


Freie Universität Berlin

6. Lemke, Oliver. Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking.

Degree: 2020, Freie Universität Berlin

 The analysis of the structural and the dynamical behavior of biomolecules is very important to under- stand their biological function, stability or physico-chemical properties. In… (more)

Subjects/Keywords: Density-based Clustering; Core-set Markov State Models; Molecular Dynamics Simulations; Molecular Docking; 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften

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APA (6th Edition):

Lemke, O. (2020). Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-26495

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):

Lemke, Oliver. “Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking.” 2020. Thesis, Freie Universität Berlin. Accessed August 11, 2020. http://dx.doi.org/10.17169/refubium-26495.

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

MLA Handbook (7th Edition):

Lemke, Oliver. “Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking.” 2020. Web. 11 Aug 2020.

Vancouver:

Lemke O. Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking. [Internet] [Thesis]. Freie Universität Berlin; 2020. [cited 2020 Aug 11]. Available from: http://dx.doi.org/10.17169/refubium-26495.

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

Council of Science Editors:

Lemke O. Theoretical Analysis of Biomolecular Systems: Computational Simulations, Core-set Markov State Models, Clustering, Molecular Docking. [Thesis]. Freie Universität Berlin; 2020. Available from: http://dx.doi.org/10.17169/refubium-26495

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

7. Apostolidis, Agamemnon. Islamic finance: An econometric model for tanker dry-docking cost financing.

Degree: 2012, University of Piraeus (UNIPI); Πανεπιστήμιο Πειραιώς

The emerging of Islamic finance as an alternative mode for funding of ships is the trigger of the present thesis. The thesis, first, investigates the… (more)

Subjects/Keywords: Ισλαμική χρηματοδότηση; Ναυτιλιακή χρηματοδότηση; Οικονομετρικό μοντέλο; Γενικευμένη μέθοδος ροπών; Δεξαμενισμός πλοίου; Πετρελαιοφόρα πλοία; Λειτουργικό κόστος πλοίου; Επισκευαστικό ναυπηγείο; Islamic finance; Shipping finance; Econometric models; Generalised method of moments; Dry docking; Tanker; Ship operating cost; Ship repair shipyard

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APA (6th Edition):

Apostolidis, A. (2012). Islamic finance: An econometric model for tanker dry-docking cost financing. (Thesis). University of Piraeus (UNIPI); Πανεπιστήμιο Πειραιώς. Retrieved from http://hdl.handle.net/10442/hedi/29445

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):

Apostolidis, Agamemnon. “Islamic finance: An econometric model for tanker dry-docking cost financing.” 2012. Thesis, University of Piraeus (UNIPI); Πανεπιστήμιο Πειραιώς. Accessed August 11, 2020. http://hdl.handle.net/10442/hedi/29445.

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

MLA Handbook (7th Edition):

Apostolidis, Agamemnon. “Islamic finance: An econometric model for tanker dry-docking cost financing.” 2012. Web. 11 Aug 2020.

Vancouver:

Apostolidis A. Islamic finance: An econometric model for tanker dry-docking cost financing. [Internet] [Thesis]. University of Piraeus (UNIPI); Πανεπιστήμιο Πειραιώς; 2012. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/10442/hedi/29445.

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

Council of Science Editors:

Apostolidis A. Islamic finance: An econometric model for tanker dry-docking cost financing. [Thesis]. University of Piraeus (UNIPI); Πανεπιστήμιο Πειραιώς; 2012. Available from: http://hdl.handle.net/10442/hedi/29445

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


Texas Medical Center

8. Chen, Lu. COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS.

Degree: PhD, 2015, Texas Medical Center

  The past decade has witnessed an era of RNA biology; despite the considerable discoveries nowadays, challenges still remain when one aims to screen RNA-interacting… (more)

Subjects/Keywords: RNA-small molecule interaction; RNA-protein interaction; molecular docking; virtual screening; NMR; scoring function; molecular dynamics; interface threading; microRNA; Bioinformatics; Biophysics; Medicinal-Pharmaceutical Chemistry; Medicine and Health Sciences; Pharmaceutics and Drug Design; Statistical Models; Structural Biology

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APA (6th Edition):

Chen, L. (2015). COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS. (Doctoral Dissertation). Texas Medical Center. Retrieved from https://digitalcommons.library.tmc.edu/utgsbs_dissertations/626

Chicago Manual of Style (16th Edition):

Chen, Lu. “COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS.” 2015. Doctoral Dissertation, Texas Medical Center. Accessed August 11, 2020. https://digitalcommons.library.tmc.edu/utgsbs_dissertations/626.

MLA Handbook (7th Edition):

Chen, Lu. “COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS.” 2015. Web. 11 Aug 2020.

Vancouver:

Chen L. COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS. [Internet] [Doctoral dissertation]. Texas Medical Center; 2015. [cited 2020 Aug 11]. Available from: https://digitalcommons.library.tmc.edu/utgsbs_dissertations/626.

Council of Science Editors:

Chen L. COMPUTATIONAL MODELING OF RNA-SMALL MOLECULE AND RNA-PROTEIN INTERACTIONS. [Doctoral Dissertation]. Texas Medical Center; 2015. Available from: https://digitalcommons.library.tmc.edu/utgsbs_dissertations/626

9. Réau, Manon. Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health.

Degree: Docteur es, Biochimie et biologie moléculaire. Bioinformatique, 2019, Paris, CNAM

Le criblage virtuel est utilisé dans la recherche de médicaments et la construction de modèle de prédiction de toxicité. L’application d’un protocole de criblage est… (more)

Subjects/Keywords: Criblage virtuel; Données inactives; Amarrage moléculaire; Pharmacophores; Récepteurs nucléaires; Chémoinformatique; Molécules inactives; Modèles; Banque de données; Benchmark; FXR; NRP-1; Virtual screening; Inactive data; Docking; Pharmacophores; Nuclear receptors; Cheminformatics; Inactive molecules; Models; Database; Benchmarking; FXR; NRP-1; 572.6; 615.19

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APA (6th Edition):

Réau, M. (2019). Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health. (Doctoral Dissertation). Paris, CNAM. Retrieved from http://www.theses.fr/2019CNAM1251

Chicago Manual of Style (16th Edition):

Réau, Manon. “Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health.” 2019. Doctoral Dissertation, Paris, CNAM. Accessed August 11, 2020. http://www.theses.fr/2019CNAM1251.

MLA Handbook (7th Edition):

Réau, Manon. “Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health.” 2019. Web. 11 Aug 2020.

Vancouver:

Réau M. Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health. [Internet] [Doctoral dissertation]. Paris, CNAM; 2019. [cited 2020 Aug 11]. Available from: http://www.theses.fr/2019CNAM1251.

Council of Science Editors:

Réau M. Importance des données inactives dans les modèles : application aux méthodes de criblage virtuel en santé humaine et environnementale : Importance of inactive data in models : application to virtual screening in human and environmental health. [Doctoral Dissertation]. Paris, CNAM; 2019. Available from: http://www.theses.fr/2019CNAM1251

10. Intagliata, Sebastiano. New alkylpiperazines as 5-HT7R ligands.

Degree: 2016, Università degli Studi di Catania

 The 5-HT7 receptor is the last member of the serotonin receptors family. This receptor, cloned and identified in 1993, belongs to the G protein-coupled receptor… (more)

Subjects/Keywords: Area 03 - Scienze chimiche; serotonin, 5-HT1AR, 5-HT7R, binding properties, structure affinity relationship studies, homology models, molecular docking, N-long-chain arylpiperazine, O-long-chain arylpiperazine, bivalent ligand approach, dual ligands, selective 5-HT7R ligands, bis-piperazines

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APA (6th Edition):

Intagliata, S. (2016). New alkylpiperazines as 5-HT7R ligands. (Thesis). Università degli Studi di Catania. Retrieved from http://hdl.handle.net/10761/3918

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):

Intagliata, Sebastiano. “New alkylpiperazines as 5-HT7R ligands.” 2016. Thesis, Università degli Studi di Catania. Accessed August 11, 2020. http://hdl.handle.net/10761/3918.

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

MLA Handbook (7th Edition):

Intagliata, Sebastiano. “New alkylpiperazines as 5-HT7R ligands.” 2016. Web. 11 Aug 2020.

Vancouver:

Intagliata S. New alkylpiperazines as 5-HT7R ligands. [Internet] [Thesis]. Università degli Studi di Catania; 2016. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/10761/3918.

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

Council of Science Editors:

Intagliata S. New alkylpiperazines as 5-HT7R ligands. [Thesis]. Università degli Studi di Catania; 2016. Available from: http://hdl.handle.net/10761/3918

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


University of Florida

11. Humkey, Robert. Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design.

Degree: PhD, Chemistry, 2009, University of Florida

 DEVELOPING A COMPUTATIONAL MODEL OF ASPARAGINE SYNTHETASE-B TOWARDS RATIONAL INHIBITOR DESIGN Robert N. Humkey (352) 219-5004 [email protected] Department of Chemistry Dr. Nigel G. J. Richards… (more)

Subjects/Keywords: Active sites; Atoms; Coordinate systems; Crystal structure; Docking; Ligands; Modeling; Molecular structure; Parametric models; Two dimensional modeling

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APA (6th Edition):

Humkey, R. (2009). Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0041019

Chicago Manual of Style (16th Edition):

Humkey, Robert. “Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design.” 2009. Doctoral Dissertation, University of Florida. Accessed August 11, 2020. https://ufdc.ufl.edu/UFE0041019.

MLA Handbook (7th Edition):

Humkey, Robert. “Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design.” 2009. Web. 11 Aug 2020.

Vancouver:

Humkey R. Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Aug 11]. Available from: https://ufdc.ufl.edu/UFE0041019.

Council of Science Editors:

Humkey R. Developing a Computational Model of Asparagine Synthetase-B Toward Rational Inhibitor Design. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0041019

12. Cabeza de Vaca López, Israel. Mapping biophysics through enhanced Monte Carlo techniques.

Degree: Departament de Física, 2015, Universitat Politècnica de Catalunya

 Aquesta tesi es centra en l'estudi de les interaccions moleculars amb detall atomic i es divideix en un capítol d'introducció i quatre capítols que fan… (more)

Subjects/Keywords: Monte Carlo; Molecular dynamics; PELE; Induced fit docking; Markov states models; Coarse grained; Protein/DNA-ligand interactions; Intercalators; 53; 577

…induced fit docking, Markov States Models, Coarse grained, Protein/DNA-ligand interactions… …approach for protein-protein docking, using as a frame our in-house algorithm PELE. We proposed a… …induced fit docking between protein-ligand and between DNA-ligand to understand the binding… …mechanism, protein stretching response, and generation/scoring of protein-protein docking poses… …PELE and molecular dynamics simulations. Besides, we will provide a docking pose that will be… 

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APA (6th Edition):

Cabeza de Vaca López, I. (2015). Mapping biophysics through enhanced Monte Carlo techniques. (Thesis). Universitat Politècnica de Catalunya. Retrieved from http://hdl.handle.net/10803/334172

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):

Cabeza de Vaca López, Israel. “Mapping biophysics through enhanced Monte Carlo techniques.” 2015. Thesis, Universitat Politècnica de Catalunya. Accessed August 11, 2020. http://hdl.handle.net/10803/334172.

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

MLA Handbook (7th Edition):

Cabeza de Vaca López, Israel. “Mapping biophysics through enhanced Monte Carlo techniques.” 2015. Web. 11 Aug 2020.

Vancouver:

Cabeza de Vaca López I. Mapping biophysics through enhanced Monte Carlo techniques. [Internet] [Thesis]. Universitat Politècnica de Catalunya; 2015. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/10803/334172.

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

Council of Science Editors:

Cabeza de Vaca López I. Mapping biophysics through enhanced Monte Carlo techniques. [Thesis]. Universitat Politècnica de Catalunya; 2015. Available from: http://hdl.handle.net/10803/334172

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


University of Illinois – Chicago

13. Su, Pin-Chih. Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase.

Degree: 2016, University of Illinois – Chicago

 The enzymes of the bacterial fatty acid biosynthetic pathway (FAS II), represent attractive targets for antimicrobial drug design, because their mammalian counterpart (FAS I) uses… (more)

Subjects/Keywords: Cheminformatics; data mining; drug discovery; computer aided drug design; enoyl acyl reductase (FabI); bacterial fatty acid synthesis; tularemia; Francisella tularensis; Staphylococcus aureus; antibiotic resistance; virtual screening; shape matching; electrostatic matching; docking; lead optimization; radii sets; molecular dynamics; quantum mechanics/molecular mechanics; thermodynamic integration (TI); free energy calculation; explicit solvent models; implicit solvent models; halogen bond; benzimidazole-based inhibitors; bioinformatics; FabI essentiality; enoyl acyl reductase (FabK), enoyl acyl reductase (FabV), enoyl acyl reductase (FabL)

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

APA (6th Edition):

Su, P. (2016). Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase. (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/20245

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):

Su, Pin-Chih. “Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase.” 2016. Thesis, University of Illinois – Chicago. Accessed August 11, 2020. http://hdl.handle.net/10027/20245.

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

MLA Handbook (7th Edition):

Su, Pin-Chih. “Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase.” 2016. Web. 11 Aug 2020.

Vancouver:

Su P. Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase. [Internet] [Thesis]. University of Illinois – Chicago; 2016. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/10027/20245.

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

Council of Science Editors:

Su P. Cheminformatics and Data Mining in Drug Discovery Targeting Bacterial Enoyl-ACP Reductase. [Thesis]. University of Illinois – Chicago; 2016. Available from: http://hdl.handle.net/10027/20245

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

.