articleTop 10% cited
Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions
Bioorganic & Medicinal Chemistry · 2016 · Vol. 24(20) · pp. 4812–4825
Ignacio Soteras(Universitat Politècnica de Catalunya)Fang-Yu Lin(University of Maryland, Baltimore)Kenno Vanommeslaeghe(University of Maryland, Baltimore)Justin A. Lemkul(University of Maryland, Baltimore)Kira A. Armacost(University of Michigan–Ann Arbor)Charles L. Brooks(University of Michigan–Ann Arbor)Alexander D. MacKerell✉(University of Maryland, Baltimore)
Computational Drug Discovery MethodsProtein Structure and DynamicsCrystallography and molecular interactionsChemistryParametrization (atmospheric modeling)Force field (fiction)Halogen bondComputational chemistryLigand (biochemistry)HalogenOrganic chemistryReceptorBiochemistry
MeSH terms
HalogensLigandsProteinsQuantum TheoryThermodynamicsStatic Electricity
Citations
288
FWCI
12.67
field-weighted impact
References
67
Percentile
99%
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References
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