OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder(Schrodinger (United States)), Richard A. Friesner(Columbia University), Chuanjie Wu(Schrodinger (United States)), David S. Cerutti(Schrodinger (United States)), Robert Abel(Schrodinger (United States)), Goran Krilov(Boston College), William L. Jorgensen(Yale University), Mark Reboul(Schrodinger (United States)), Jin Yu Xiang(Schrodinger (United States)), Joseph W. Kaus(Schrodinger (United States)), Lingle Wang(Schrodinger (United States)), Markus K. Dahlgren(Schrodinger (United States)), Jon R. Maple(Schrodinger (United States)), Dmitry Lupyan(Schrodinger (United States)), Jennifer L. Knight(Schrodinger (United States)), Wolfgang Damm(Schrodinger (United States))
Cited by 3,132
Related Papers
Comparison of multiple Amber force fields and development of improved protein backbone parameters
|Proteins Structure Function and Bioinformatics|2006|7.1k
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
|Journal of Chemical Theory and Computation|2021|1.9k
Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences
|International Journal of Quantum Chemistry|2013|1.8k
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
|Nucleic Acids Research|2017|1.6k
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
|Journal of the American Chemical Society|2015|1.4k