Sandeep Patel, Ph.D.

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Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/ParkePotvrđena adresa e-pošte na umich.edu
Michela TauferJack Dongarra Professor in High Performance Computing, The University of TennesseePotvrđena adresa e-pošte na acm.org
Yuan HuModeling & Informatics, Alkermes, IncPotvrđena adresa e-pošte na alkermes.com
Yang ZhongGenomics Institute of the Novartis Research FoundationPotvrđena adresa e-pošte na gnf.org
Sudipta SinhaIIT RoparPotvrđena adresa e-pošte na iitrpr.ac.in
Di CuiSenior Scientist, Schrodinger Inc.Potvrđena adresa e-pošte na schrodinger.com
Himal GangulyUniversity of DelawarePotvrđena adresa e-pošte na udel.edu
Narayan GanesanAssistant Professor of Electrical and Computer Engineering, Stevens Institute of Technology, NJPotvrđena adresa e-pošte na stevens.edu
Philip SaponaroUniversity of DelawarePotvrđena adresa e-pošte na udel.edu
Obaidur RahamanCovestroPotvrđena adresa e-pošte na COVESTRO.COM
Alisa KrishtalMassachusetts Institute of TechnologyPotvrđena adresa e-pošte na mit.edu
Adnan OzsoyAssociate Professor, Hacettepe University, TurkeyPotvrđena adresa e-pošte na hacettepe.edu.tr
Hongbin WanSenior Scientist, Novartis Institutes for BioMedical ResearchPotvrđena adresa e-pošte na novartis.com
Matthew WezowiczUniversity of DelawarePotvrđena adresa e-pošte na udel.edu
Mohit Rakesh MehtaKBR Inc. (NASA ARC)Potvrđena adresa e-pošte na us.kbr.com
Stephen HerbeinLawrence Livermore National LaboratoryPotvrđena adresa e-pošte na llnl.gov
Jeremy LoganOak Ridge National LaboratoryPotvrđena adresa e-pošte na ornl.gov
Edward LymanAssociate Professor of Physics, University of DelawarePotvrđena adresa e-pošte na udel.edu
Trilce EstradaUniversity of New MexicoPotvrđena adresa e-pošte na cs.unm.edu
Shu-Ching OuScientist at Amgen Inc

Prati

Sandeep Patel, Ph.D.

University of Delaware Department of Chemistry/Biochemistry

Potvrđena adresa e-pošte na udel.edu - Početna stranica

Comp. Chem.Biophysics Molecular Modeling Phys. Chem.Data Science/Machine Learning


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	592	2003
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	561	2004
Chemical and electrochemical copolymerization of aniline with alkyl ring-substituted anilines Y Wei, R Hariharan, SA Patel Macromolecules 23 (3), 758-764, 1990	369	1990
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	253	1990
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	155	2006
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	140	2007
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	110	2008
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	106	2017
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	100	2007
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	89	2005
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	79	2005
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	76	2009
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	76	2006
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	75	2010
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models JE Davis, O Rahaman, S Patel Biophysical Journal 96 (2), 385-402, 2009	70	2009
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	66	2009
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	64	2008
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	62	2015
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	54	2013
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	52	2012

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