Comparative Study of Molecular Mechanics Force Fields for β-Peptidic Foldamers: Folding and Self-Association. - András F. Wacha; Zoltán Varga; Tamás Beke-Somfai (J. Chem. Inf. Model., 2023)

charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS. - András F. Wacha; Justin A. Lemkul (J. Chem. Inf. Model., 2023)