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Molecular modelling
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#	Item
41	DOI: cphcCharacterizing Pt-Derived Anticancer Drugs from First Principles: The Case of Oxaliplatin in Aqueous Solution Elizabeth C. Beret,[a] Rafael R. Pappalardo,[a] Dominik Marx,[b] and Enrique Snc Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Language: English - Date: 2009-05-05 11:08:50 Platinum compounds Ammine complexes Molecular modelling Coordination chemistry Transition metals Cisplatin Metal ions in aqueous solution Coordination complex Oxaliplatin Molecular dynamics Ligand Trans-1 2-Diaminocyclohexane
42	PDF Document Add to Reading List Source URL: www.hieratic.eu Language: English Scientific modeling Computational chemistry Molecular dynamics Molecular modelling Computational physics Statistical mechanics Particle
43	PHYSICAL REVIEW B 92, Velocity autocorrelation in liquid parahydrogen by quantum simulations for direct parameter-free computations of neutron cross sections E. Guarini,1 M. Neumann,2 U. Bafile,3 M. Celli, Add to Reading List Source URL: comp-phys.univie.ac.at Language: English - Date: 2015-11-19 09:53:32 Computational chemistry Molecular modelling Nucleons Molecular dynamics Scientific modeling Neutron Quantum mechanics Properties of water Hydrogen
44	Protein side chain rotational isomerization: A minimum perturbation mapping study Christopher Haydock Department of Biochemistry and Molecular Biology, Mayo Foundation, Rochester, MinnesotaA theory of the rotation Add to Reading List Source URL: www.christopherhaydock.com Language: English - Date: 2005-03-15 19:54:34 Computational chemistry Differential geometry Molecular modelling Connection Curvature Torsion tensor Analytic torsion Umbrella sampling Perturbation theory Torsion Dead-end elimination Energy
45	MOLECULAR DYNAMICS APPROACH FOR MODELLING UNDERWATER EXPLOSIONS Add to Reading List Source URL: mp.ipme.ru Language: English - Date: 2014-05-27 04:49:52
46	DEPARTMENT OF CHEMISTRY Research profile Sections Add to Reading List Source URL: set.kuleuven.be Language: English - Date: 2014-12-04 05:40:56 Chemistry Nature Polymer chemistry Chemist Medicinal chemistry Organic chemistry Inorganic chemistry Macromolecule Polymer Molecular modelling Willard Gibbs Award Davy Medal
47	3 The Gaussian Network Model: Theory and Applications A.J. Rader, Chakra Chennubhotla, Lee-Wei Yang, and Ivet Bahar CONTENTS Add to Reading List Source URL: www.ccbb.pitt.edu Language: English - Date: 2013-11-27 16:28:54 Molecular modelling Structural biology Chemistry Gaussian network model Biology GNM Protein dynamics Molecular dynamics Turn Protein domain STING Anisotropic Network Model
48	VOLUME 79, NUMBER 16 PHYSICAL REVIEW LETTERS 20 OCTOBER 1997 Add to Reading List Source URL: www.ccbb.pitt.edu Language: English - Date: 2013-11-27 16:28:52 Structural biology Protein folding Biology Protein structure Molecular modelling Chemistry Gaussian network model Proteins Protein dynamics Correlation function Protein S STING
49	Cooperative dynamics of proteins unraveled by network models Add to Reading List Source URL: www.ccbb.pitt.edu Language: English - Date: 2014-02-27 11:10:04 Chemistry Molecular modelling Structural biology Biology Gaussian network model Anisotropic Network Model Protein dynamics Allosteric regulation Protein domain Normal mode Turn Enzyme
50	Structural changes involved in protein binding correlate with intrinsic motions of proteins in the unbound state Dror Tobi and Ivet Bahar* Department of Computational Biology, School of Medicine, University of Pittsburgh Add to Reading List Source URL: www.ccbb.pitt.edu Language: English - Date: 2013-11-27 16:28:42 Cell biology Biology Proteins Chemistry Cell cycle Molecular modelling Protein families Enzyme kinetics Gaussian network model Cyclin-dependent kinase 6 Cyclin Anisotropic Network Model