Следене
Sandeep Patel, Ph.D.
Sandeep Patel, Ph.D.
University of Delaware Department of Chemistry/Biochemistry
Потвърден имейл адрес: udel.edu - Начална страница
Заглавие
Позовавания
Позовавания
Година
CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations
S Patel, CL Brooks
Journal of computational chemistry 25 (1), 1-16, 2003
5922003
CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model
S Patel, AD Mackerell Jr, CL Brooks III
Journal of computational chemistry 25 (12), 1504-1514, 2004
5612004
Chemical and electrochemical copolymerization of aniline with alkyl ring-substituted anilines
Y Wei, R Hariharan, SA Patel
Macromolecules 23 (3), 758-764, 1990
3691990
Polymerization of aniline and alkyl ring-substituted anilines in the presence of aromatic additives
Y Wei, GW Jang, CC Chan, KF Hsueh, R Hariharan, SA Patel, ...
Journal of Physical Chemistry 94 (19), 7716-7721, 1990
2531990
Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems
S Patel, CL Brooks III
Molecular Simulation 32 (3-4), 231-249, 2006
1552006
Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: An assessment of simulation methodology and force field …
G Lee Warren, S Patel
The Journal of chemical physics 127 (6), 2007
1402007
Origin and control of superlinear polarizability scaling in chemical potential equalization methods
GL Warren, JE Davis, S Patel
The Journal of chemical physics 128 (14), 2008
1102008
Insights into thiol–aromatic interactions: a stereoelectronic basis for S–H/π interactions
CR Forbes, SK Sinha, HK Ganguly, S Bai, GPA Yap, S Patel, NJ Zondlo
Journal of the American Chemical Society 139 (5), 1842-1855, 2017
1062017
Thermodynamic and structural properties of methanol–water solutions using nonadditive interaction models
Y Zhong, GL Warren, S Patel
Journal of Computational Chemistry 29 (7), 1142-1152, 2007
1002007
A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model
S Patel, CL Brooks
The Journal of chemical physics 122 (2), 2005
892005
Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions
S Patel, CL Brooks
The Journal of chemical physics 123 (16), 2005
792005
Exploring ion permeation energetics in gramicidin A using polarizable charge equilibration force fields
S Patel, JE Davis, BA Bauer
Journal of the American Chemical Society 131 (39), 13890, 2009
762009
Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials
SA Patel, CL Brooks
The Journal of chemical physics 124 (20), 2006
762006
Improving numerical reproducibility and stability in large-scale numerical simulations on GPUs
M Taufer, O Padron, P Saponaro, S Patel
2010 IEEE International Symposium on Parallel & Distributed Processing …, 2010
752010
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models
JE Davis, O Rahaman, S Patel
Biophysical Journal 96 (2), 385-402, 2009
702009
Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model
BA Bauer, S Patel
The Journal of chemical physics 131 (8), 2009
662009
Comparison of the Solvation Structure of Polarizable and Nonpolarizable Ions in Bulk Water and Near the Aqueous Liquid− Vapor Interface
GL Warren, S Patel
The Journal of Physical Chemistry C 112 (19), 7455-7467, 2008
642008
Investigating hydrophilic pores in model lipid bilayers using molecular simulations: correlating bilayer properties with pore-formation thermodynamics
Y Hu, SK Sinha, S Patel
Langmuir 31 (24), 6615-6631, 2015
622015
Free energetics of arginine permeation into model DMPC lipid bilayers: coupling of effective counterion concentration and lateral bilayer dimensions
Y Hu, S Ou, S Patel
The Journal of Physical Chemistry B 117 (39), 11641-11653, 2013
542013
Recent applications and developments of charge equilibration force fields for modeling dynamical charges in classical molecular dynamics simulations
BA Bauer, S Patel
Theoretical Chemistry Accounts 131, 1-15, 2012
522012
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Статии 1–20