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Journal of Computational Chemistry|May 5, 2018
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksJing Huang, Justin A Lemkul, Peter K Eastman, et al.The Journal of Physical Chemistry. B|June 12, 2013
Systematic improvement of a classical molecular model of waterLee-Ping Wang, Teresa Head-Gordon, Jay W Ponder, et al.Journal of Chemical Theory and Computation|October 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical PerceptionDavid L Mobley, Caitlin C Bannan, Andrea Rizzi, et al.Journal of Chemical Theory and Computation|December 4, 2015
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force FieldJumin Lee, Xi Cheng, Jason M Swails, et al.Pageof 1