CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

K. Vanommeslaeghe, E. Hatcher, C. Acharya, S. Kundu, S. Zhong, J. Shim, E. Darian, O. Guvench, P. Lopes, Igor Vorobyov, A. D. Mackerell

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