1. Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field
2. OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
3. Case, D. A.; Betz, R. M.; Botello-Smith, W.; Cerutti, D. S.; Cheatham, T. E., III; Darden, T. A.; Duke, R. E.; Giese, T. J.; Gohlke, H.; Goetz, A. W.; Homeyer, N.; Izadi, S.; Janowski, P.; Kaus, J.; Kovalenko, A.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Luchko, T.; Luo, R.; Madej, B.; Mermelstein, D.; Merz, K. M.; Monard, G.; Nguyen, H.; Nguyen, H. T.; Omelyan, I.; Onufriev, A.; Roe, D.
R.; Roitberg, A.; Sagui, C.; Simmerling, C. L.; Swails, J.; Walker, R. C.; Wang, J.; Wolf, R. M.; Wu, X.; Xiao, L.; York, D. M.; Kollman, P. A. AMBER 16; University of California: San Francisco, 2016.
4. CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
5. Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles