SEARCH Articles Figures Tables Ab Initio, Density-Functional, Semiempirical, and Molecular-Mechanics Methods Classical molecular mechanics methods Computational chemistry molecular mechanics methods Computational methods molecular mechanics Empirical Force Field or Molecular Mechanics Methods Extended Hiickel molecular orbital method mechanism Hybrid Quantum-Mechanical and Molecular echanical Methods Mechanical methods Methods molecular mechanics calculations Molecular dynamics mechanics method Molecular mechanical methods Molecular mechanical methods Molecular mechanics Newton-Raphson method Molecular mechanics Westheimer method Molecular mechanics conjugate gradient methods Molecular mechanics force field correlated methods Molecular mechanics modelling methods Quantum and Molecular Mechanical Methods Quantum mechanical/molecular mechanics QM/MM) methods The Molecular-Mechanics Method Theory molecular mechanics methods Using Molecular Mechanics Methods