Patel S - Search Results

1

Revised charge equilibration potential for liquid alkanes.

Davis JE, Warren GL, Patel S. Davis JE, et al. Among authors: patel s. J Phys Chem B. 2008 Jul 17;112(28):8298-310. doi: 10.1021/jp8003129. Epub 2008 Jun 21. J Phys Chem B. 2008. PMID: 18570394

2

Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.

Warren GL, Patel S. Warren GL, et al. Among authors: patel s. J Chem Phys. 2007 Aug 14;127(6):064509. doi: 10.1063/1.2771550. J Chem Phys. 2007. PMID: 17705614

3

Thermodynamic and structural properties of methanol-water solutions using nonadditive interaction models.

Zhong Y, Warren GL, Patel S. Zhong Y, et al. Among authors: patel s. J Comput Chem. 2008 May;29(7):1142-52. doi: 10.1002/jcc.20877. J Comput Chem. 2008. PMID: 18074339 Free PMC article.

4

Origin and control of superlinear polarizability scaling in chemical potential equalization methods.

Lee Warren G, Davis JE, Patel S. Lee Warren G, et al. Among authors: patel s. J Chem Phys. 2008 Apr 14;128(14):144110. doi: 10.1063/1.2872603. J Chem Phys. 2008. PMID: 18412426 Free PMC article.

5

Electrostatic properties of aqueous salt solution interfaces: a comparison of polarizable and nonpolarizable ion models.

Warren GL, Patel S. Warren GL, et al. Among authors: patel s. J Phys Chem B. 2008 Sep 18;112(37):11679-93. doi: 10.1021/jp8038835. Epub 2008 Aug 20. J Phys Chem B. 2008. PMID: 18712908 Free PMC article.

6

Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.

Zhong Y, Patel S. Zhong Y, et al. Among authors: patel s. J Phys Chem B. 2009 Jan 22;113(3):767-78. doi: 10.1021/jp807053p. J Phys Chem B. 2009. PMID: 19115819

7

Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.

Davis JE, Rahaman O, Patel S. Davis JE, et al. Among authors: patel s. Biophys J. 2009 Jan;96(2):385-402. doi: 10.1016/j.bpj.2008.09.048. Biophys J. 2009. PMID: 19167291 Free PMC article.

8

Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.

Davis JE, Patel S. Davis JE, et al. Among authors: patel s. J Phys Chem B. 2009 Jul 9;113(27):9183-96. doi: 10.1021/jp901088g. J Phys Chem B. 2009. PMID: 19526999 Free PMC article.

9

Interfacial structure, thermodynamics, and electrostatics of aqueous methanol solutions via molecular dynamics simulations using charge equilibration models.

Patel S, Zhong Y, Bauer BA, Davis JE. Patel S, et al. J Phys Chem B. 2009 Jul 9;113(27):9241-54. doi: 10.1021/jp900446f. J Phys Chem B. 2009. PMID: 19569724 Free PMC article.

10

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

Bauer BA, Patel S. Bauer BA, et al. Among authors: patel s. J Chem Phys. 2009 Aug 28;131(8):084709. doi: 10.1063/1.3200869. J Chem Phys. 2009. PMID: 19725623 Free PMC article.

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