Authors:
Kaminski, GA
Friesner, RA
Tirado-Rives, J
Jorgensen, WL
Citation: Ga. Kaminski et al., Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides, J PHYS CH B, 105(28), 2001, pp. 6474-6487
Authors:
Stern, HA
Kaminski, GA
Banks, JL
Zhou, RH
Berne, BJ
Friesner, RA
Citation: Ha. Stern et al., Fluctuating charge, polarizable dipole, and combined models: Parameterization from ab initio quantum chemistry, J PHYS CH B, 103(22), 1999, pp. 4730-4737
Citation: Ga. Kaminski et Wl. Jorgensen, Host-guest chemistry of rotaxanes and catenanes: application of a polarizable all-atom force field to cyclobis(paraquat-p-phenylene) complexes with disubstituted benzenes and biphenyls, J CHEM S P2, (11), 1999, pp. 2365-2375
Authors:
Banks, JL
Kaminski, GA
Zhou, RH
Mainz, DT
Berne, BJ
Friesner, RA
Citation: Jl. Banks et al., Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model, J CHEM PHYS, 110(2), 1999, pp. 741-754