Automatic atom type and bond type perception in molecular mechanical calculations

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

Natural Sciences, Biophysics, Chemistry +17

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

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Natural Sciences, Chemistry, Physics +14

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

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