Molecular dynamics: survey of methods for simulating the activity of proteins.
作者： Stewart A. Adcock , J. Andrew McCammon
DOI: 10.1021/CR040426M
关键词: Range (mathematics) 、 Equations of motion 、 Monte Carlo method 、 Statistical physics 、 Chemistry 、 Dynamic simulation 、 Time evolution 、 Complex system 、 Hard spheres 、 Molecular dynamics 、 Biophysics
摘要: … or Coulombic potentials) to model molecular systems. Molecular mechanics approaches are widely applied in molecular structure refinement, molecular dynamics (MD) simulations, …
acs.org
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