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OPLS force field

OPLS (Wikipedia)


M J Robertson, J Tirado-Rives, W L Jorgensen, Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field, JCTC 11, 3499 (2015)

C E S Bernardes, A Joseph, Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals, JPCA 119, 3023 (2015) – prm

M K Dahlgren, P Schyman, J Tirado-Rives, W L Jorgensen, Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields, J Chem Inf Model 53, 1191 (2013) – prm

K H DuBay, M L Hall, T F Hughes, C Wu, D R Reichman, R A Friesner, Accurate Force Field Development for Modeling Conjugated Polymers, JCTC 8, 4556 (2012)

N A McDonald, W L Jorgensen, Development of an All-Atom Force Field for Heterocycles. Properties of Liquid Pyrrole, Furan, Diazoles, and Oxazoles, JPCB 102, 8049 (1996)

W L Jorgensen, D S Maxwell, J Tirado-Rives, Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids, JACS 118, 11225 (1996) – OPLS