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281 pages, 17 Mb, April 11 2010

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Contents: Contributed Articles ============================== p. 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 Maller-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 212 Molecular Networks and Complex Molecule Dynamics 214 Topological dynamics 214 Proteomics 215 List of protein structure prediction software 221 Protein- DNA interaction site predictor 224 DNA Dynamics 226 DNA nanotechnology 237 Molecular self- assembly 246 Interactome 249 Cell signaling 251 Molecular evolution 257 Molecular phylogenetics 260 Computational phylogenetics 263 References Article Sources and Contributors 271 Image Sources, Licenses and Contributors 275 Article Licenses License 277 Copyright@2009 Bci2/ Copyright@2010 bci1 and 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

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Open access: Copyright@2010 bci1 and Bci2 http://en.wikipedia.org/wiki/User:Bci2/Books/Molecular_Modeling_and_Dynamics

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