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You searched for subject:(Constant pH molecular dynamics). Showing records 1 – 30 of 54376 total matches.

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1. Martins, Ingrid Bernardes Santana [UNESP]. Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante.

Degree: 2016, Universidade Estadual Paulista

Diversos processos biológicos envolvendo proteínas são mediados por alterações de pH. Infecção de células por vírus, catálise enzimática, associação de ligantes e a solubilidade de… (more)

Subjects/Keywords: Dinâmica Molecular; pH constante; pKa; Biofísica Molecular; Molecular Dynamics; Constant pH; Biophysics

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

APA (6th Edition):

Martins, I. B. S. [. (2016). Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante. (Thesis). Universidade Estadual Paulista. Retrieved from http://hdl.handle.net/11449/143901

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):

Martins, Ingrid Bernardes Santana [UNESP]. “Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante.” 2016. Thesis, Universidade Estadual Paulista. Accessed January 20, 2020. http://hdl.handle.net/11449/143901.

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

MLA Handbook (7th Edition):

Martins, Ingrid Bernardes Santana [UNESP]. “Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante.” 2016. Web. 20 Jan 2020.

Vancouver:

Martins IBS[. Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante. [Internet] [Thesis]. Universidade Estadual Paulista; 2016. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11449/143901.

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

Council of Science Editors:

Martins IBS[. Desenvolvimento de sistema computacional para simulações de dinâmica molecular a pH constante. [Thesis]. Universidade Estadual Paulista; 2016. Available from: http://hdl.handle.net/11449/143901

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


University of Michigan

2. Goh, Garrett B. Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity.

Degree: PhD, Chemistry, 2015, University of Michigan

pH is a ubiquitous regulator of biological activity, with widespread impact ranging from its role in catalysis to carcinogenesis. Traditionally, a combination of biophysical and… (more)

Subjects/Keywords: Transient States; Constant pH Molecular Dynamics; Electrostatics; pH; Molecular Modeling; Chemistry; Physics; Science (General); Science

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APA (6th Edition):

Goh, G. B. (2015). Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/113562

Chicago Manual of Style (16th Edition):

Goh, Garrett B. “Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity.” 2015. Doctoral Dissertation, University of Michigan. Accessed January 20, 2020. http://hdl.handle.net/2027.42/113562.

MLA Handbook (7th Edition):

Goh, Garrett B. “Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity.” 2015. Web. 20 Jan 2020.

Vancouver:

Goh GB. Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity. [Internet] [Doctoral dissertation]. University of Michigan; 2015. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/2027.42/113562.

Council of Science Editors:

Goh GB. Development & Application of Constant pH Molecular Dynamics (CPHMD ) for Investigating pH-mediated Transient Conformational States and Their Effects on Nucleic Acid & Protein Activity. [Doctoral Dissertation]. University of Michigan; 2015. Available from: http://hdl.handle.net/2027.42/113562


Universidade de Lisboa

3. Viçosa, Diogo Ruivo dos Santos Vila. Reversibility of prion misfolding by constant-pH molecular dynamics simulations.

Degree: 2010, Universidade de Lisboa

Tese de mestrado, Bioquímica, Universidade de Lisboa, Faculdade de Ciências, 2010

The prion protein (PrP) is the cause of a group of diseases known as… (more)

Subjects/Keywords: Prion protein; pH; Constant-pH molecular dynamics; N-O contacts; Principal component analysis; Misfolding; Teses de mestrado - 2010

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APA (6th Edition):

Viçosa, D. R. d. S. V. (2010). Reversibility of prion misfolding by constant-pH molecular dynamics simulations. (Thesis). Universidade de Lisboa. Retrieved from http://www.rcaap.pt/detail.jsp?id=oai:repositorio.ul.pt:10451/5451

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):

Viçosa, Diogo Ruivo dos Santos Vila. “Reversibility of prion misfolding by constant-pH molecular dynamics simulations.” 2010. Thesis, Universidade de Lisboa. Accessed January 20, 2020. http://www.rcaap.pt/detail.jsp?id=oai:repositorio.ul.pt:10451/5451.

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

MLA Handbook (7th Edition):

Viçosa, Diogo Ruivo dos Santos Vila. “Reversibility of prion misfolding by constant-pH molecular dynamics simulations.” 2010. Web. 20 Jan 2020.

Vancouver:

Viçosa DRdSV. Reversibility of prion misfolding by constant-pH molecular dynamics simulations. [Internet] [Thesis]. Universidade de Lisboa; 2010. [cited 2020 Jan 20]. Available from: http://www.rcaap.pt/detail.jsp?id=oai:repositorio.ul.pt:10451/5451.

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

Council of Science Editors:

Viçosa DRdSV. Reversibility of prion misfolding by constant-pH molecular dynamics simulations. [Thesis]. Universidade de Lisboa; 2010. Available from: http://www.rcaap.pt/detail.jsp?id=oai:repositorio.ul.pt:10451/5451

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


Colorado School of Mines

4. Granum, David. Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces.

Degree: MS(M.S.), Chemical and Biological Engineering, 2007, Colorado School of Mines

 Cellulases are a broad class of enzymes responsible for decomposing lignocellulosic biomass. These enzymes have several industrial applications, most notably in the production of 2nd… (more)

Subjects/Keywords: Molecular dynamics; Hydrolysis; Constant pH molecular dynamics; pKa; Cellulase enzymes; Cellulase; Molecular dynamics; Cellulose  – Biodegradation; Polymers; Hydrolysis; Proton transfer reactions

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APA (6th Edition):

Granum, D. (2007). Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces. (Masters Thesis). Colorado School of Mines. Retrieved from http://hdl.handle.net/11124/36

Chicago Manual of Style (16th Edition):

Granum, David. “Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces.” 2007. Masters Thesis, Colorado School of Mines. Accessed January 20, 2020. http://hdl.handle.net/11124/36.

MLA Handbook (7th Edition):

Granum, David. “Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces.” 2007. Web. 20 Jan 2020.

Vancouver:

Granum D. Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces. [Internet] [Masters thesis]. Colorado School of Mines; 2007. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11124/36.

Council of Science Editors:

Granum D. Computational analysis of cellobiohydrolase Cel7b from Melanocarpus albomyces. [Masters Thesis]. Colorado School of Mines; 2007. Available from: http://hdl.handle.net/11124/36


Cornell University

5. Raymunt, Alexandra. Towards The Design Of Ultra-Low Dielectric Constant Materials .

Degree: 2015, Cornell University

 The inherent trade-off of porosity and mechanical properties in ultra-low dielectric constant (ULK) organosilicate glass (SiCOH) materials is a critical challenge in semiconductor processing. Numerous… (more)

Subjects/Keywords: molecular dynamics; ultra-low dielectric constant; organosilicate glass

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APA (6th Edition):

Raymunt, A. (2015). Towards The Design Of Ultra-Low Dielectric Constant Materials . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/39299

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):

Raymunt, Alexandra. “Towards The Design Of Ultra-Low Dielectric Constant Materials .” 2015. Thesis, Cornell University. Accessed January 20, 2020. http://hdl.handle.net/1813/39299.

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

MLA Handbook (7th Edition):

Raymunt, Alexandra. “Towards The Design Of Ultra-Low Dielectric Constant Materials .” 2015. Web. 20 Jan 2020.

Vancouver:

Raymunt A. Towards The Design Of Ultra-Low Dielectric Constant Materials . [Internet] [Thesis]. Cornell University; 2015. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/1813/39299.

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

Council of Science Editors:

Raymunt A. Towards The Design Of Ultra-Low Dielectric Constant Materials . [Thesis]. Cornell University; 2015. Available from: http://hdl.handle.net/1813/39299

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


University of Oxford

6. More, Joshua N. Algorithms and computer code for ab initio path integral molecular dynamics simulations.

Degree: PhD, 2015, University of Oxford

 This thesis presents i-PI, a new path integral molecular dynamics code designed to capture nuclear quantum effects in ab initio electronic structure calculations of condensed… (more)

Subjects/Keywords: 530.12; ab initio path integral molecular dynamics; density functional theory; PIMD; Constant pressure simulations; AIPIMD

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APA (6th Edition):

More, J. N. (2015). Algorithms and computer code for ab initio path integral molecular dynamics simulations. (Doctoral Dissertation). University of Oxford. Retrieved from https://ora.ox.ac.uk/objects/uuid:b8ca7471-21e3-4240-95b1-8775e5d6c08f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.712047

Chicago Manual of Style (16th Edition):

More, Joshua N. “Algorithms and computer code for ab initio path integral molecular dynamics simulations.” 2015. Doctoral Dissertation, University of Oxford. Accessed January 20, 2020. https://ora.ox.ac.uk/objects/uuid:b8ca7471-21e3-4240-95b1-8775e5d6c08f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.712047.

MLA Handbook (7th Edition):

More, Joshua N. “Algorithms and computer code for ab initio path integral molecular dynamics simulations.” 2015. Web. 20 Jan 2020.

Vancouver:

More JN. Algorithms and computer code for ab initio path integral molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Oxford; 2015. [cited 2020 Jan 20]. Available from: https://ora.ox.ac.uk/objects/uuid:b8ca7471-21e3-4240-95b1-8775e5d6c08f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.712047.

Council of Science Editors:

More JN. Algorithms and computer code for ab initio path integral molecular dynamics simulations. [Doctoral Dissertation]. University of Oxford; 2015. Available from: https://ora.ox.ac.uk/objects/uuid:b8ca7471-21e3-4240-95b1-8775e5d6c08f ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.712047


University of Miami

7. Choudhury, Rajib. Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study.

Degree: PhD, Chemistry (Arts and Sciences), 2012, University of Miami

 This thesis describes the host-guest chemistry between water soluble macrocycles and various series of guests, such as long chain aromatic hydrocarbons, polar small organic molecules,… (more)

Subjects/Keywords: Host-guest; Molecular Dynamics Simulation; Conformation; Enthalpy-entropy Compensation; NMR Spectroscopy; Binding Constant

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APA (6th Edition):

Choudhury, R. (2012). Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study. (Doctoral Dissertation). University of Miami. Retrieved from https://scholarlyrepository.miami.edu/oa_dissertations/898

Chicago Manual of Style (16th Edition):

Choudhury, Rajib. “Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study.” 2012. Doctoral Dissertation, University of Miami. Accessed January 20, 2020. https://scholarlyrepository.miami.edu/oa_dissertations/898.

MLA Handbook (7th Edition):

Choudhury, Rajib. “Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study.” 2012. Web. 20 Jan 2020.

Vancouver:

Choudhury R. Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study. [Internet] [Doctoral dissertation]. University of Miami; 2012. [cited 2020 Jan 20]. Available from: https://scholarlyrepository.miami.edu/oa_dissertations/898.

Council of Science Editors:

Choudhury R. Structure and Dynamics of Small Molecules within Water-soluble Hosts: A Thermodynamic, Nuclear Magnetic Resonance Spectroscopic and Computational Study. [Doctoral Dissertation]. University of Miami; 2012. Available from: https://scholarlyrepository.miami.edu/oa_dissertations/898


University of Toronto

8. Yousuf, Fatima. Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures.

Degree: 2016, University of Toronto

The solubilization of hydrophobic drug molecules in the bloodstream by micelles is a promising method for drug delivery to cancerous cells. Cancerous cells and their… (more)

Subjects/Keywords: drug delivery; Micelle; Molecular Dynamics; Multiparticle Collision Dynamics; pH-sensitive; polymer; 0485

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APA (6th Edition):

Yousuf, F. (2016). Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures. (Masters Thesis). University of Toronto. Retrieved from http://hdl.handle.net/1807/76120

Chicago Manual of Style (16th Edition):

Yousuf, Fatima. “Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures.” 2016. Masters Thesis, University of Toronto. Accessed January 20, 2020. http://hdl.handle.net/1807/76120.

MLA Handbook (7th Edition):

Yousuf, Fatima. “Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures.” 2016. Web. 20 Jan 2020.

Vancouver:

Yousuf F. Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures. [Internet] [Masters thesis]. University of Toronto; 2016. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/1807/76120.

Council of Science Editors:

Yousuf F. Analysis of Hybrid MD-MPC Simulations of Micelle Formation under Neutral pH and Dynamics under Acidic pH Using Different pH-Sensitive Triblock Copolymer Structures. [Masters Thesis]. University of Toronto; 2016. Available from: http://hdl.handle.net/1807/76120


Universidade do Rio Grande do Sul

9. Theisen, Maíra. Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD.

Degree: 2017, Universidade do Rio Grande do Sul

Hidrogéis são redes poliméricas tridimensionais ligadas entre si por reticulações químicas ou físicas, e podem absorver água ou fluidos biológicos. A estrutura permite que estes… (more)

Subjects/Keywords: Hydrogel; Hidrogéis; Poli(álcool vinílico); pH; Molecular dynamics; Dinâmica molecular; RGD; Poli(vinyl alcohol)

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APA (6th Edition):

Theisen, M. (2017). Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD. (Thesis). Universidade do Rio Grande do Sul. Retrieved from http://hdl.handle.net/10183/171735

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):

Theisen, Maíra. “Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD.” 2017. Thesis, Universidade do Rio Grande do Sul. Accessed January 20, 2020. http://hdl.handle.net/10183/171735.

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

MLA Handbook (7th Edition):

Theisen, Maíra. “Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD.” 2017. Web. 20 Jan 2020.

Vancouver:

Theisen M. Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD. [Internet] [Thesis]. Universidade do Rio Grande do Sul; 2017. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/10183/171735.

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

Council of Science Editors:

Theisen M. Estudo computacional via dinâmica molecular de poli(vinil álcool) funcionalizado com tripetídeo RGD. [Thesis]. Universidade do Rio Grande do Sul; 2017. Available from: http://hdl.handle.net/10183/171735

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


Brigham Young University

10. Liu, Jiangping. Prediction of Fluid Dielectric Constants.

Degree: PhD, 2011, Brigham Young University

 The dielectric constant or relative static permittivity of a material represents the capacitance of the material relative to a vacuum and is important in many… (more)

Subjects/Keywords: Jiangping Liu; dielectric constant; dipole moment; QSPR; molecular descriptors; NRTL; molecular dynamics simulations; polarization; Chemical Engineering

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APA (6th Edition):

Liu, J. (2011). Prediction of Fluid Dielectric Constants. (Doctoral Dissertation). Brigham Young University. Retrieved from https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3786&context=etd

Chicago Manual of Style (16th Edition):

Liu, Jiangping. “Prediction of Fluid Dielectric Constants.” 2011. Doctoral Dissertation, Brigham Young University. Accessed January 20, 2020. https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3786&context=etd.

MLA Handbook (7th Edition):

Liu, Jiangping. “Prediction of Fluid Dielectric Constants.” 2011. Web. 20 Jan 2020.

Vancouver:

Liu J. Prediction of Fluid Dielectric Constants. [Internet] [Doctoral dissertation]. Brigham Young University; 2011. [cited 2020 Jan 20]. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3786&context=etd.

Council of Science Editors:

Liu J. Prediction of Fluid Dielectric Constants. [Doctoral Dissertation]. Brigham Young University; 2011. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3786&context=etd


University of Oulu

11. Pennanen, T. (Teemu). Computational studies of NMR and magneto-optical rotation parameters in water.

Degree: 2012, University of Oulu

 Abstract In this thesis nuclear magnetic resonance (NMR) and magneto-optical rotation (MOR) parameters are investigated for water, paying special attention to the effect of solvation… (more)

Subjects/Keywords: Faraday effect; NMR; molecular dynamics; nuclear spin optical rotation; quadrupole coupling; quantum chemistry; shielding constant; spin-spin coupling; water

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APA (6th Edition):

Pennanen, T. (. (2012). Computational studies of NMR and magneto-optical rotation parameters in water. (Doctoral Dissertation). University of Oulu. Retrieved from http://urn.fi/urn:isbn:9789514297311

Chicago Manual of Style (16th Edition):

Pennanen, T (Teemu). “Computational studies of NMR and magneto-optical rotation parameters in water.” 2012. Doctoral Dissertation, University of Oulu. Accessed January 20, 2020. http://urn.fi/urn:isbn:9789514297311.

MLA Handbook (7th Edition):

Pennanen, T (Teemu). “Computational studies of NMR and magneto-optical rotation parameters in water.” 2012. Web. 20 Jan 2020.

Vancouver:

Pennanen T(. Computational studies of NMR and magneto-optical rotation parameters in water. [Internet] [Doctoral dissertation]. University of Oulu; 2012. [cited 2020 Jan 20]. Available from: http://urn.fi/urn:isbn:9789514297311.

Council of Science Editors:

Pennanen T(. Computational studies of NMR and magneto-optical rotation parameters in water. [Doctoral Dissertation]. University of Oulu; 2012. Available from: http://urn.fi/urn:isbn:9789514297311


University of Florida

12. Maroo, Shalabh. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.

Degree: PhD, Mechanical Engineering - Mechanical and Aerospace Engineering, 2009, University of Florida

 Nucleate boiling is one of the most efficient heat transfer mechanisms and has been widely featured in many high heat-flux engineering applications. But, the knowledge… (more)

Subjects/Keywords: Argon; Atoms; Evaporation; Heat flux; Heat transfer; Liquids; Molecular dynamics; Simulations; Vapors; Wall temperature; boiling, constant, contact, droplet, dynamics, evaporation, hamaker, line, meniscus, molecular, nanochannel, thin, wall

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APA (6th Edition):

Maroo, S. (2009). Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0041071

Chicago Manual of Style (16th Edition):

Maroo, Shalabh. “Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.” 2009. Doctoral Dissertation, University of Florida. Accessed January 20, 2020. http://ufdc.ufl.edu/UFE0041071.

MLA Handbook (7th Edition):

Maroo, Shalabh. “Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.” 2009. Web. 20 Jan 2020.

Vancouver:

Maroo S. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jan 20]. Available from: http://ufdc.ufl.edu/UFE0041071.

Council of Science Editors:

Maroo S. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. [Doctoral Dissertation]. University of Florida; 2009. Available from: http://ufdc.ufl.edu/UFE0041071


RMIT University

13. Nhan, C. A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria.

Degree: 2018, RMIT University

 In this Masters thesis computational modelling techniques were employed to investigate iron-free apo-Lactoferrin (apo-Lf) structural conformation changes in the presence of variant temperature and pH.… (more)

Subjects/Keywords: Fields of Research; Lactoferrin; Milk protein; Heat treatment; pH treatment; molecular dynamics; probiotics

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APA (6th Edition):

Nhan, C. (2018). A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria. (Thesis). RMIT University. Retrieved from http://researchbank.rmit.edu.au/view/rmit:162558

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):

Nhan, C. “A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria.” 2018. Thesis, RMIT University. Accessed January 20, 2020. http://researchbank.rmit.edu.au/view/rmit:162558.

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

MLA Handbook (7th Edition):

Nhan, C. “A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria.” 2018. Web. 20 Jan 2020.

Vancouver:

Nhan C. A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria. [Internet] [Thesis]. RMIT University; 2018. [cited 2020 Jan 20]. Available from: http://researchbank.rmit.edu.au/view/rmit:162558.

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

Council of Science Editors:

Nhan C. A molecular simulation study of thermal and pH effects on apo-lactoferrin stability: implications for potential encapsulation function of gram-positive bacteria. [Thesis]. RMIT University; 2018. Available from: http://researchbank.rmit.edu.au/view/rmit:162558

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


Universidade do Rio Grande do Sul

14. Thompson, Helen Nathalia. Mudanças estruturais na proteína príon celular induzidas por alteração de pH.

Degree: 2012, Universidade do Rio Grande do Sul

Os príons são proteínas que causam um grupo de doenças neurodegenerativas invariavelmente fatais, sendo uma das mais conhecidas a encefalopatia espongiforme bovina (ou doença da… (more)

Subjects/Keywords: Prion; Proteína prion celular; Dinâmica molecular; Long-range electrostatics; pH; Campos de força; Force fields; Molecular Dynamics Simulations

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APA (6th Edition):

Thompson, H. N. (2012). Mudanças estruturais na proteína príon celular induzidas por alteração de pH. (Thesis). Universidade do Rio Grande do Sul. Retrieved from http://hdl.handle.net/10183/143360

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):

Thompson, Helen Nathalia. “Mudanças estruturais na proteína príon celular induzidas por alteração de pH.” 2012. Thesis, Universidade do Rio Grande do Sul. Accessed January 20, 2020. http://hdl.handle.net/10183/143360.

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

MLA Handbook (7th Edition):

Thompson, Helen Nathalia. “Mudanças estruturais na proteína príon celular induzidas por alteração de pH.” 2012. Web. 20 Jan 2020.

Vancouver:

Thompson HN. Mudanças estruturais na proteína príon celular induzidas por alteração de pH. [Internet] [Thesis]. Universidade do Rio Grande do Sul; 2012. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/10183/143360.

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

Council of Science Editors:

Thompson HN. Mudanças estruturais na proteína príon celular induzidas por alteração de pH. [Thesis]. Universidade do Rio Grande do Sul; 2012. Available from: http://hdl.handle.net/10183/143360

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


University of Florida

15. Young, Harold William, 1946-. Product energy distributions in bimolecular reactions.

Degree: 1973, University of Florida

Subjects/Keywords: Constant coefficients; Electron energy; Electrons; Energy; Energy value; Kinetic energy; Momentum theory; Momentum transfer; Recombination coefficient; Temperature dependence; Chemistry thesis Ph. D; Energy levels (Quantum mechanics); Molecular dynamics; Quantum theory

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APA (6th Edition):

Young, Harold William, 1. (1973). Product energy distributions in bimolecular reactions. (Thesis). University of Florida. Retrieved from http://ufdc.ufl.edu/UF00097590

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):

Young, Harold William, 1946-. “Product energy distributions in bimolecular reactions.” 1973. Thesis, University of Florida. Accessed January 20, 2020. http://ufdc.ufl.edu/UF00097590.

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

MLA Handbook (7th Edition):

Young, Harold William, 1946-. “Product energy distributions in bimolecular reactions.” 1973. Web. 20 Jan 2020.

Vancouver:

Young, Harold William 1. Product energy distributions in bimolecular reactions. [Internet] [Thesis]. University of Florida; 1973. [cited 2020 Jan 20]. Available from: http://ufdc.ufl.edu/UF00097590.

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

Council of Science Editors:

Young, Harold William 1. Product energy distributions in bimolecular reactions. [Thesis]. University of Florida; 1973. Available from: http://ufdc.ufl.edu/UF00097590

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

16. Contessoto, Vinícius de Godoi [UNESP]. Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados.

Degree: 2016, Universidade Estadual Paulista

Entender a contribuição das interações eletrostáticas no processo de enovelamento e na estabilidade do estado nativo de proteínas é de grande relevância em biofísica molecular.… (more)

Subjects/Keywords: Mutações racionais; Otimização de enzimas; Bioetanol de segunda geração; Modelo de Tanford-Kirkwood; Método de dinâmica molecular com pH constante; Termoestabilidade; Rational mutations; Enzyme optimization; Second generation bioethanol; Tanford-Kirkwood model; Constant-pH molecular dynamic method; Thermostability

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APA (6th Edition):

Contessoto, V. d. G. [. (2016). Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados. (Thesis). Universidade Estadual Paulista. Retrieved from http://hdl.handle.net/11449/143863

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):

Contessoto, Vinícius de Godoi [UNESP]. “Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados.” 2016. Thesis, Universidade Estadual Paulista. Accessed January 20, 2020. http://hdl.handle.net/11449/143863.

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

MLA Handbook (7th Edition):

Contessoto, Vinícius de Godoi [UNESP]. “Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados.” 2016. Web. 20 Jan 2020.

Vancouver:

Contessoto VdG[. Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados. [Internet] [Thesis]. Universidade Estadual Paulista; 2016. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11449/143863.

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

Council of Science Editors:

Contessoto VdG[. Estudo de interações eletrostáticas no processo de enovelamento e na estabilidade de proteínas utilizando modelos simplificados. [Thesis]. Universidade Estadual Paulista; 2016. Available from: http://hdl.handle.net/11449/143863

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


Anna University

17. Priyadarshini M. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.

Degree: Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study, 2015, Anna University

The crystal structures of LolA and LolB have been solved and extensive studies have been performed on these biomolecules Takeda et al 2003 Despite the… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

M, P. (2015). Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. (Thesis). Anna University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/34560

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):

M, Priyadarshini. “Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.” 2015. Thesis, Anna University. Accessed January 20, 2020. http://shodhganga.inflibnet.ac.in/handle/10603/34560.

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

MLA Handbook (7th Edition):

M, Priyadarshini. “Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;.” 2015. Web. 20 Jan 2020.

Vancouver:

M P. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. [Internet] [Thesis]. Anna University; 2015. [cited 2020 Jan 20]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/34560.

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

Council of Science Editors:

M P. Studies on periplasmic chaperone lola and outer membrane protein lolb in escherichia coli An analysis of lipoprotein interactions leading to identification of inhibitors a molecular dynamics and in silico study;. [Thesis]. Anna University; 2015. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/34560

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


Rochester Institute of Technology

18. Cyran, Marek. Event-driven molecular dynamics simulations of protein mixtures.

Degree: School of Mathematical Sciences (COS), 2010, Rochester Institute of Technology

 The structure of liquids is central to their thermodynamic properties and is described in a probabilistic manner. The structure is a consequence of the forces… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Cyran, M. (2010). Event-driven molecular dynamics simulations of protein mixtures. (Thesis). Rochester Institute of Technology. Retrieved from https://scholarworks.rit.edu/theses/4978

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):

Cyran, Marek. “Event-driven molecular dynamics simulations of protein mixtures.” 2010. Thesis, Rochester Institute of Technology. Accessed January 20, 2020. https://scholarworks.rit.edu/theses/4978.

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

MLA Handbook (7th Edition):

Cyran, Marek. “Event-driven molecular dynamics simulations of protein mixtures.” 2010. Web. 20 Jan 2020.

Vancouver:

Cyran M. Event-driven molecular dynamics simulations of protein mixtures. [Internet] [Thesis]. Rochester Institute of Technology; 2010. [cited 2020 Jan 20]. Available from: https://scholarworks.rit.edu/theses/4978.

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

Council of Science Editors:

Cyran M. Event-driven molecular dynamics simulations of protein mixtures. [Thesis]. Rochester Institute of Technology; 2010. Available from: https://scholarworks.rit.edu/theses/4978

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


University of Oklahoma

19. Wallace, Jason Avery. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.

Degree: PhD, 2012, University of Oklahoma

 Lastly, we combine the generalized reaction field treament of long-range electrostatics and a charge-neutralization procedure which together allow fully explicit-solvent CpHMD (ECpHMD) to deliver pKa… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Wallace, J. A. (2012). CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/319485

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed January 20, 2020. http://hdl.handle.net/11244/319485.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 20 Jan 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11244/319485.

Council of Science Editors:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Doctoral Dissertation]. University of Oklahoma; 2012. Available from: http://hdl.handle.net/11244/319485


University of Oklahoma

20. Wallace, Jason Avery. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.

Degree: PhD, 2012, University of Oklahoma

 Lastly, we combine the generalized reaction field treament of long-range electrostatics and a charge-neutralization procedure which together allow fully explicit-solvent CpHMD (ECpHMD) to deliver pKa… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Wallace, J. A. (2012). CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/318535

Chicago Manual of Style (16th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Doctoral Dissertation, University of Oklahoma. Accessed January 20, 2020. http://hdl.handle.net/11244/318535.

MLA Handbook (7th Edition):

Wallace, Jason Avery. “CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS.” 2012. Web. 20 Jan 2020.

Vancouver:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Internet] [Doctoral dissertation]. University of Oklahoma; 2012. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11244/318535.

Council of Science Editors:

Wallace JA. CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS. [Doctoral Dissertation]. University of Oklahoma; 2012. Available from: http://hdl.handle.net/11244/318535


Rutgers University

21. Diaz, Ricardo, 1983-. Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces.

Degree: PhD, Mechanical and Aerospace Engineering, 2018, Rutgers University

Phase change has long been known to be an efficient method of heat transfer, due to the latent energy released at constant or near-constant temperature.… (more)

Subjects/Keywords: Molecular dynamics

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APA (6th Edition):

Diaz, Ricardo, 1. (2018). Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/57537/

Chicago Manual of Style (16th Edition):

Diaz, Ricardo, 1983-. “Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces.” 2018. Doctoral Dissertation, Rutgers University. Accessed January 20, 2020. https://rucore.libraries.rutgers.edu/rutgers-lib/57537/.

MLA Handbook (7th Edition):

Diaz, Ricardo, 1983-. “Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces.” 2018. Web. 20 Jan 2020.

Vancouver:

Diaz, Ricardo 1. Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces. [Internet] [Doctoral dissertation]. Rutgers University; 2018. [cited 2020 Jan 20]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57537/.

Council of Science Editors:

Diaz, Ricardo 1. Molecular dynamics studies of nanoscale evaporation and pool boiling heat transfer on modified surfaces. [Doctoral Dissertation]. Rutgers University; 2018. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57537/


McMaster University

22. mohammed, ahmed. COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES.

Degree: MSc, 2013, McMaster University

Understanding and predicting chemical phenomena is the main goal of computational chemistry. In this thesis I present my work on applying computational approaches to… (more)

Subjects/Keywords: Molecular tweezers; drug targeting; drug release; molecular switching; pH responsive molecules; density functional theory; steered molecular dynamics; cluster model; protein pKa prediction; buried residues; Physical Chemistry; Physical Chemistry

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APA (6th Edition):

mohammed, a. (2013). COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES. (Masters Thesis). McMaster University. Retrieved from http://hdl.handle.net/11375/13326

Chicago Manual of Style (16th Edition):

mohammed, ahmed. “COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES.” 2013. Masters Thesis, McMaster University. Accessed January 20, 2020. http://hdl.handle.net/11375/13326.

MLA Handbook (7th Edition):

mohammed, ahmed. “COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES.” 2013. Web. 20 Jan 2020.

Vancouver:

mohammed a. COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES. [Internet] [Masters thesis]. McMaster University; 2013. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/11375/13326.

Council of Science Editors:

mohammed a. COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES. [Masters Thesis]. McMaster University; 2013. Available from: http://hdl.handle.net/11375/13326


KTH

23. Böjeryd, Jesper. Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method.

Degree: NA, 2015, KTH

Simulations of particle systems at constant temperature may be used to estimate several of the system’s physical properties, and some require integration over very… (more)

Subjects/Keywords: The symplectic Euler method; Ornstein-Uhlenbeck process; Molecular dynamics; Long time integration; Canonical ensemble; Constant temperature; Symplektisk Euler; Ornstein-Uhlenbeck-process; molekyldynamik; integration över lång tid; kanonisk ensemble; konstant temperatur.

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APA (6th Edition):

Böjeryd, J. (2015). Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method. (Thesis). KTH. Retrieved from http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-165324

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):

Böjeryd, Jesper. “Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method.” 2015. Thesis, KTH. Accessed January 20, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-165324.

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

MLA Handbook (7th Edition):

Böjeryd, Jesper. “Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method.” 2015. Web. 20 Jan 2020.

Vancouver:

Böjeryd J. Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method. [Internet] [Thesis]. KTH; 2015. [cited 2020 Jan 20]. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-165324.

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

Council of Science Editors:

Böjeryd J. Long Time Integration of Molecular Dynamics at Constant Temperature with the Symplectic Euler Method. [Thesis]. KTH; 2015. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-165324

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


Indian Institute of Science

24. Tummanapelli, Anil Kumar. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.

Degree: 2015, Indian Institute of Science

 Knowledge of the dissociation constants of the ionizable protons of weak acids in aqueous media is of fundamental importance in many areas of chemistry and… (more)

Subjects/Keywords: Aqueous Solutions; Bronsted Acid-base Chemistry; Molecular Dynamics; Ab Initio car Molecular Dynamics; Acid Dissociation Constant; Thermodynamic Cycles; Density Functional Theory (DFT); Metadynamics; Ab Initio MD Simulations; Glutathione Disulfide; Inorganic and Physical Chemistry

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APA (6th Edition):

Tummanapelli, A. K. (2015). Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. (Thesis). Indian Institute of Science. Retrieved from http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf

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):

Tummanapelli, Anil Kumar. “Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.” 2015. Thesis, Indian Institute of Science. Accessed January 20, 2020. http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf.

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

MLA Handbook (7th Edition):

Tummanapelli, Anil Kumar. “Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions.” 2015. Web. 20 Jan 2020.

Vancouver:

Tummanapelli AK. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. [Internet] [Thesis]. Indian Institute of Science; 2015. [cited 2020 Jan 20]. Available from: http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf.

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

Council of Science Editors:

Tummanapelli AK. Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions. [Thesis]. Indian Institute of Science; 2015. Available from: http://etd.iisc.ernet.in/2005/3943 ; http://etd.iisc.ernet.in/abstracts/4817/G27193-Abs.pdf

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


Hong Kong University of Science and Technology

25. Liu, Chong. Molecular dynamics simulation of nanochannel flows.

Degree: 2011, Hong Kong University of Science and Technology

 Nanoscale fluid flow systems involve both microscopic and macroscopic parameters, which may couple with each another and lead to many special properties. The primary objective… (more)

Subjects/Keywords: Nanofluids ; Molecular dynamics ; Fluid dynamics

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APA (6th Edition):

Liu, C. (2011). Molecular dynamics simulation of nanochannel flows. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/th_redirect.html

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):

Liu, Chong. “Molecular dynamics simulation of nanochannel flows.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed January 20, 2020. http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/th_redirect.html.

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

MLA Handbook (7th Edition):

Liu, Chong. “Molecular dynamics simulation of nanochannel flows.” 2011. Web. 20 Jan 2020.

Vancouver:

Liu C. Molecular dynamics simulation of nanochannel flows. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2020 Jan 20]. Available from: http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/th_redirect.html.

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

Council of Science Editors:

Liu C. Molecular dynamics simulation of nanochannel flows. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: http://repository.ust.hk/ir/Record/1783.1-7201 ; https://doi.org/10.14711/thesis-b1146181 ; http://repository.ust.hk/ir/bitstream/1783.1-7201/1/th_redirect.html

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


University of Alberta

26. Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.

Degree: MS, Department of Chemical and Materials Engineering, 2014, University of Alberta

 Thermo-responsive polymers have been the subject of research in academic and applied science over the past few decades. Among them, water-soluble thermo-responsive polymers draw most… (more)

Subjects/Keywords: Molecular dynamics simulation

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APA (6th Edition):

Zhou,Yang. (2014). Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/rb68xf375

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Masters Thesis, University of Alberta. Accessed January 20, 2020. https://era.library.ualberta.ca/files/rb68xf375.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Web. 20 Jan 2020.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Internet] [Masters thesis]. University of Alberta; 2014. [cited 2020 Jan 20]. Available from: https://era.library.ualberta.ca/files/rb68xf375.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Masters Thesis]. University of Alberta; 2014. Available from: https://era.library.ualberta.ca/files/rb68xf375

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Texas A&M University

27. Atilhan, Selma. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.

Degree: 2009, Texas A&M University

 Nanocomposites refer to the materials in which the defining characteristic size of inclusions is in the order of 10-100nm. There are several types of nanoparticle… (more)

Subjects/Keywords: Molecular dynamics; Montmorillonite

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APA (6th Edition):

Atilhan, S. (2009). Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. (Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/ETD-TAMU-1263

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):

Atilhan, Selma. “Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.” 2009. Thesis, Texas A&M University. Accessed January 20, 2020. http://hdl.handle.net/1969.1/ETD-TAMU-1263.

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

MLA Handbook (7th Edition):

Atilhan, Selma. “Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations.” 2009. Web. 20 Jan 2020.

Vancouver:

Atilhan S. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. [Internet] [Thesis]. Texas A&M University; 2009. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-1263.

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

Council of Science Editors:

Atilhan S. Molecular dynamics simulation of montmorillonite and mechanical and thermodynamic properties calculations. [Thesis]. Texas A&M University; 2009. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-1263

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


Victoria University of Wellington

28. Mahelona, Keoni Kealoha. Molecular Dynamics: A Study on Slip, Drops, and Graphene.

Degree: 2011, Victoria University of Wellington

Molecular dynamics (MD) is a computational tool used to study physical systems by modeling the atomic-scale interactions between atoms. MD can accurately predict the properties… (more)

Subjects/Keywords: Molecular dynamics; Liquids

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APA (6th Edition):

Mahelona, K. K. (2011). Molecular Dynamics: A Study on Slip, Drops, and Graphene. (Masters Thesis). Victoria University of Wellington. Retrieved from http://hdl.handle.net/10063/1975

Chicago Manual of Style (16th Edition):

Mahelona, Keoni Kealoha. “Molecular Dynamics: A Study on Slip, Drops, and Graphene.” 2011. Masters Thesis, Victoria University of Wellington. Accessed January 20, 2020. http://hdl.handle.net/10063/1975.

MLA Handbook (7th Edition):

Mahelona, Keoni Kealoha. “Molecular Dynamics: A Study on Slip, Drops, and Graphene.” 2011. Web. 20 Jan 2020.

Vancouver:

Mahelona KK. Molecular Dynamics: A Study on Slip, Drops, and Graphene. [Internet] [Masters thesis]. Victoria University of Wellington; 2011. [cited 2020 Jan 20]. Available from: http://hdl.handle.net/10063/1975.

Council of Science Editors:

Mahelona KK. Molecular Dynamics: A Study on Slip, Drops, and Graphene. [Masters Thesis]. Victoria University of Wellington; 2011. Available from: http://hdl.handle.net/10063/1975


University of Hong Kong

29. 张青; Zhang, Qing. A theory of Ehrenfest dynamics for open systems and its applications.

Degree: PhD, 2015, University of Hong Kong

In conventional mixed electron-nuclear molecular dynamics simulations, the molecular systems are always treated as closed. Here starting from the exact quantum mechanical Lagrangian, a first… (more)

Subjects/Keywords: Molecular dynamics; Electrons

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APA (6th Edition):

张青; Zhang, Q. (2015). A theory of Ehrenfest dynamics for open systems and its applications. (Doctoral Dissertation). University of Hong Kong. Retrieved from Zhang, Q. [张青]. (2015). A theory of Ehrenfest dynamics for open systems and its applications. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b5699946 ; http://hdl.handle.net/10722/223020

Chicago Manual of Style (16th Edition):

张青; Zhang, Qing. “A theory of Ehrenfest dynamics for open systems and its applications.” 2015. Doctoral Dissertation, University of Hong Kong. Accessed January 20, 2020. Zhang, Q. [张青]. (2015). A theory of Ehrenfest dynamics for open systems and its applications. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b5699946 ; http://hdl.handle.net/10722/223020.

MLA Handbook (7th Edition):

张青; Zhang, Qing. “A theory of Ehrenfest dynamics for open systems and its applications.” 2015. Web. 20 Jan 2020.

Vancouver:

张青; Zhang Q. A theory of Ehrenfest dynamics for open systems and its applications. [Internet] [Doctoral dissertation]. University of Hong Kong; 2015. [cited 2020 Jan 20]. Available from: Zhang, Q. [张青]. (2015). A theory of Ehrenfest dynamics for open systems and its applications. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b5699946 ; http://hdl.handle.net/10722/223020.

Council of Science Editors:

张青; Zhang Q. A theory of Ehrenfest dynamics for open systems and its applications. [Doctoral Dissertation]. University of Hong Kong; 2015. Available from: Zhang, Q. [张青]. (2015). A theory of Ehrenfest dynamics for open systems and its applications. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b5699946 ; http://hdl.handle.net/10722/223020

30. Bao, Jie. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.

Degree: PhD, Chemistry, 2011, Brown University

 Understanding the molecular structural dynamics of highly excited, large molecules on various dynamics levels has been a challenge for both experimentalists and theorists. We approach… (more)

Subjects/Keywords: Ultrafast Molecular Dynamics

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APA (6th Edition):

Bao, J. (2011). Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. (Doctoral Dissertation). Brown University. Retrieved from https://repository.library.brown.edu/studio/item/bdr:11189/

Chicago Manual of Style (16th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Doctoral Dissertation, Brown University. Accessed January 20, 2020. https://repository.library.brown.edu/studio/item/bdr:11189/.

MLA Handbook (7th Edition):

Bao, Jie. “Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems.” 2011. Web. 20 Jan 2020.

Vancouver:

Bao J. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. [Internet] [Doctoral dissertation]. Brown University; 2011. [cited 2020 Jan 20]. Available from: https://repository.library.brown.edu/studio/item/bdr:11189/.

Council of Science Editors:

Bao J. Ultrafast Photoelectron Spectroscopy and Mass Spectrometry as Probes for Structural Dynamics of Highly Excited Large Molecular Systems. [Doctoral Dissertation]. Brown University; 2011. Available from: https://repository.library.brown.edu/studio/item/bdr:11189/

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