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Biophysical Journal|January 27, 2009
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction modelsJoseph E Davis, Obaidur Rahaman, Sandeep PatelChemical Physics Letters|February 18, 2010
Revised Charge Equilibration Parameters for More Accurate Hydration Free Energies of AlkanesJoseph E Davis, Sandeep PatelThe Journal of Physical Chemistry. B|June 17, 2009
Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin AJoseph E Davis, Sandeep PatelThe Journal of Chemical Physics|April 17, 2008
Origin and control of superlinear polarizability scaling in chemical potential equalization methodsG Lee Warren, Joseph E Davis, Sandeep PatelThe Journal of Physical Chemistry. B|June 24, 2008
Revised charge equilibration potential for liquid alkanesJoseph E Davis, G Lee Warren, Sandeep PatelJournal of the American Chemical Society|October 1, 2009
Exploring ion permeation energetics in gramicidin A using polarizable charge equilibration force fieldsSandeep Patel, Joseph E Davis, Brad A BauerJournal of Chemical Information and Modeling|October 29, 2020
Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular FingerprintsObaidur Rahaman, Alessio GagliardiThe Journal of Physical Chemistry. B|July 3, 2009
Interfacial structure, thermodynamics, and electrostatics of aqueous methanol solutions via molecular dynamics simulations using charge equilibration modelsSandeep Patel, Yang Zhong, Brad A Bauer, et al.Journal of Computational Chemistry|September 24, 2010
Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processorsBrad A Bauer, Joseph E Davis, Michela Taufer, et al.Journal of Computational Chemistry|October 15, 2011
Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fieldsTimothy R Lucas, Brad A Bauer, Joseph E Davis, et al.Pageof 24