OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon R. Maple, Chuanjie Wu, Mark Reboul, Jin Yu Xiang, Lingle Wang, Dmitry Lupyan, Markus K. Dahlgren, Jennifer L. Knight, Joseph W. Kaus, David S. Cerutti, Goran Krilov, William L. Jorgensen, Robert Abel, Richard A. Friesner (2015). OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins. Journal of Chemical Theory and Computation, 12(1), pp. 281-296, DOI: 10.1021/acs.jctc.5b00864.
