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

Journal 2016

URL:  http://www.sciencedirect.com/science/article/pii/S0968089616304576er.com/content/article/PII:S0968089616304576?httpAccept=text/xmlhttp://api.elsevier.com/content/article/PII:S0968089616304576?httpAccept=text/plain

Authors: Gutiérrez, Ignacio / Lin, Fang-Yu / Vanommeslaeghe, Kenno / Lemkul, Justin / Armacost, Kira / Brooks, Charles / MacKerell, Alexander

Publication: Bioorganic & Medicinal Chemistry

Volume / Pagination: 24 / 4812 - 4825