Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions December 23, 2016 Continue Reading
CHARMM General Force Field (CGenFF): A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields, Journal of Computational Chemistry September 17, 2015 Continue Reading
Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations, Journal of Computational Chemistry Continue Reading
Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing, Journal of Chemical Information and Modeling Continue Reading
Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges, Journal of Chemical Information and Modeling Continue Reading
