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