CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. - Kenno Vanommeslaeghe; Elizabeth Hatcher; Chayan Acharya; Sibsankar Kundu; Shijun Zhong; Jihyun Shim; Eva Darian; Olgun Guvench; Pedro E. M. Lopes; Igor Vorobyov; Alexander D. MacKerell Jr. (J. Comput. Chem., 2010)

Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations. - Wenbo Yu 002; Xibing He; Kenno Vanommeslaeghe; Alexander D. MacKerell Jr. (J. Comput. Chem., 2012)

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing. - Kenno Vanommeslaeghe; Alexander D. MacKerell Jr. (J. Chem. Inf. Model., 2012)

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges. - Kenno Vanommeslaeghe; E. Prabhu Raman; Alexander D. MacKerell Jr. (J. Chem. Inf. Model., 2012)

Robustness in the fitting of molecular mechanics parameters. - Kenno Vanommeslaeghe; Mingjun Yang; Alexander D. MacKerell Jr. (J. Comput. Chem., 2015)

Additive CHARMM force field for naturally occurring modified ribonucleotides. - You Xu; Kenno Vanommeslaeghe; Alexey Aleksandrov; Alexander D. MacKerell Jr.; Lennart Nilsson (J. Comput. Chem., 2016)