December 5, 2016

Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions

I.S. Gutierrez, F-Y Lin, K. Vanommeslaeghe, J.A. Lemkul, K.A. Armacost, C.L. Brooks III, A.D. MacKerell Jr.
Bioorganic and Medicinal Chemistry (2016), 24, 4812-4825

Abstract / PDF

presented by Bercem