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Wiley Interdisciplinary Reviews. Computational Molecular Science|October 16, 2012
Recent Developments and Applications of the CHARMM force fieldsXiao Zhu, Pedro E M Lopes, Alexander D MackerellJournal of Computational Chemistry|July 24, 2012
Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulationsWenbo Yu, Xibing He, Kenno Vanommeslaeghe, et al.Biopolymers|January 11, 2007
DNA bending induced by carbocyclic sugar analogs constrained to the north conformationAlba T Macias, Nilesh K Banavali, Alexander D MacKerellJournal of Molecular Modeling|May 25, 2020
Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxidesAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerellJournal of Chemical Theory and Computation|May 7, 2010
Re-evaluation of the reported experimental values of the heat of vaporization of N-methylacetamideAlexander D Mackerell, Ji Hyun Shim, Victor M AnisimovThe Journal of Physical Chemistry. A|July 4, 2018
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2Francesco Villa, Alexander D MacKerell, Benoît Roux, et al.Journal of Chemical Information and Computer Sciences|January 28, 2003
Consideration of molecular weight during compound selection in virtual target-based database screeningYongping Pan, Niu Huang, Sam Cho, et al.Methods in Molecular Biology (Clifton, N.J.)|October 22, 2014
Current status of protein force fields for molecular dynamics simulationsPedro E M Lopes, Olgun Guvench, Alexander D MacKerellThe Journal of Physical Chemistry. A|January 25, 2013
Impact of geometry optimization on base-base stacking interaction energies in the canonical A- and B-forms of DNAAshley Ringer McDonald, Elizabeth J Denning, Alexander D MacKerellBiopolymers|May 25, 2013
Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillatorXibing He, Pedro E M Lopes, Alexander D MackerellPageof 49