Brad A. Bauer

发表

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

Michela Taufer, Narayan Ganesan, Brad A. Bauer, 2011, J. Comput. Chem..

Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields

Brad A. Bauer, Timothy R. Lucas, Sandeep Patel, 2012, J. Comput. Chem..

Molecular dynamics simulations of aqueous ions at the liquid–vapor interface accelerated using graphics processors

Michela Taufer, Brad A. Bauer, Sandeep Patel, 2011, J. Comput. Chem..

FENZI: GPU-Enabled Molecular Dynamics Simulations of Large Membrane Regions Based on the CHARMM Force Field and PME

Michela Taufer, Narayan Ganesan, Brad A. Bauer, 2011, 2011 IEEE International Symposium on Parallel and Distributed Processing Workshops and Phd Forum.

Solvation properties of N‐acetyl‐β‐glucosamine: Molecular dynamics study incorporating electrostatic polarization

Yang Zhong, Brad A. Bauer, Sandeep Patel, 2011, J. Comput. Chem..

Free energetics and the role of water in the permeation of methyl guanidinium across the bilayer-water interface: insights from molecular dynamics simulations using charge equilibration potentials.

Brad A. Bauer, Timothy R. Lucas, S. Ou, 2013, The journal of physical chemistry. B.

Recent applications and developments of charge equilibration force fields for modeling dynamical charges in classical molecular dynamics simulations

Brad A. Bauer, Sandeep Patel, 2012, Theoretical Chemistry Accounts.

Condensed-phase properties of n-alkyl-amines from molecular dynamics simulations using charge equilibration force fields

Brad A. Bauer, Sandeep Patel, 2008 .

Dynamics and energetics of hydrophobically confined water.

Brad A. Bauer, S. Ou, Sandeep Patel, 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly.

Brad A. Bauer, Sandeep Patel, 2010, The journal of physical chemistry. B.

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

Brad A. Bauer, Sandeep Patel, 2009, The Journal of chemical physics.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

Brad A. Bauer, Sandeep Patel, Sandeep Patel, 2009, Journal of chemical theory and computation.

Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.

Brad A. Bauer, Timothy R. Lucas, Sandeep Patel, 2012, Biochimica et biophysica acta.

Free energetics of carbon nanotube association in pure and aqueous ionic solutions.

Brad A. Bauer, S. Ou, Sandeep Patel, 2012, The journal of physical chemistry. B.

Role of spatial ionic distribution on the energetics of hydrophobic assembly and properties of the water/hydrophobe interface.

Brad A. Bauer, S. Ou, Sandeep Patel, 2012, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulations of nonpolarizable inorganic salt solution interfaces: NaCl, NaBr, and NaI in transferable intermolecular potential 4-point with charge dependent polarizability (TIP4P-QDP) water.

Brad A. Bauer, Sandeep Patel, 2010, The Journal of chemical physics.

Variation of ion polarizability from vacuum to hydration: insights from Hirshfeld partitioning.

Brad A. Bauer, Timothy R. Lucas, Sandeep Patel, 2010, The journal of physical chemistry. A.

Water Permeation Through DMPC Lipid Bilayers using Polarizable Charge Equilibration Force Fields.

Brad A. Bauer, Timothy R. Lucas, Sandeep Patel, 2011, Chemical physics letters.

Exploring ion permeation energetics in gramicidin A using polarizable charge equilibration force fields.

Brad A. Bauer, Sandeep Patel, Joseph E. Davis, 2009, Journal of the American Chemical Society.

Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models.

Brad A. Bauer, Joseph E. Davis, Sandeep Patel, 2011, Journal of molecular graphics & modelling.

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

Brad A. Bauer, Sandeep Patel, 2009, The Journal of chemical physics.

Exploring ion permeation energetics in gramicidin A using polarizable charge equilibration force fields.

Brad A. Bauer, Joseph E. Davis, Sandeep Patel, 2009, Journal of the American Chemical Society.