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284 pages, 18Mb, v.1.1 March 23, 2010, v.1.2 --April 13, 2010

Abstract:

Modeling Methods, Molecular Dynamics, Computational Models and Computer Simulations of Molecular Systems: Contents: Articles 1 Molecular Modeling Methods 2 Molecular Modeling 2 Quantum field theory 6 Local quantum field theory 18 Physical chemistry 19 Chemical physics 21 Computational chemistry 22 ''n''- body problem 29 Hartree--Fock method 34 Mean field theory 41 Landau theory 43 Flory--“Huggins solution theory 45 Scheutjens- Fleer theory 48 Molecular graphics 48 VRML 58 Molecular design software 61 Computational chemistry 64 Theoretical Quantum Chemistry 71 Quantum chemistry 71 Molecular orbital theory 75 Generalized valence bond 78 Moeller--Plesset perturbation theory 79 List of quantum chemistry and solid state physics software 83 International Academy of Quantum Molecular Science 86 Molecular Dynamics, Theories and Computational Methods 90 Classical mechanics 90 Newton's laws of motion 101 Analytical dynamics 110 Force Fields 112 Molecular mechanics 119 Molecular dynamics 124 NAnoscale Molecular Dynamics 136 CHARMM 138 Charm+ + 142 Assisted Model Building with Energy Refinement 143 Optimized Potentials for Liquid Simulations 146 Abalone (molecular mechanics) 147 Statistical mechanics 148 Statistical field theory 159 Mathematical chemistry 160 Monte Carlo method 161 Quantum Monte Carlo 171 Dynamics of Markovian particles 174 Molecular Modeling Applications to Complex Biomolecules 175 Protein structure prediction 175 Protein folding 182 Protein design 188 Homology modeling 191 Loop modeling 198 MODELLER 199 Molecular models of DNA 200 List of nucleic acid simulation software 213 Molecular Networks and Complex Molecule Dynamics 215 Topological dynamics 215 Proteomics 216 List of protein structure prediction software 222 Protein- DNA interaction site predictor 225 DNA Dynamics 227 DNA nanotechnology 240 Molecular self- assembly 249 Interactome 252 Cell signaling 254 Molecular evolution 260 Molecular phylogenetics 263 Computational phylogenetics 266 References Article Sources and Contributors 274 Image Sources, Licenses and Contributors 278 Article Licenses License 280 ====== http://en.wikipedia.org/wiki/User:Bci2/Books/Molecular_Modeling_and_Dynamics

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Open access: Copyright@2009-2010 Bci2, Edited and originated by Bci2- with several contributors listed before the License Statement. http://en.wikipedia.org/wiki/User:Bci2/Books/Molecular_Modeling_and_Dynamics Copyright@2009-2010 bci1 and Bci2 : Copyright statement: Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.2 or any later version ;published by the Free Software Foundation, with no Invariant Sections, no Front-Cover Texts, and no Back- Cover Texts. A copy of the license is included in the section entitled "GNU Free Documentation License". Edited by Bci2, with all contributors listed before the License statement.

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