Force Fields

Warshel in collaboration with Levitt and Lifson has developed the consistent Force Field (CFF) method1,2 and the corresponding computer programs which are the basis of most current molecular modeling methods (CHARMM, AMBER, GROMOS etc). Our parameterizations of the ENZYMIX force field (e.g. 3) focus on reproducing solvation free energies. In recent years we placed significant effort on parameterizing coarse-grained (CG) models4.