Shinoda W - Search Results

1

A coarse-grain model for entangled polyethylene melts and polyethylene crystallization.

Hall KW, Sirk TW, Klein ML, Shinoda W. Hall KW, et al. Among authors: shinoda w. J Chem Phys. 2019 Jun 28;150(24):244901. doi: 10.1063/1.5092229. J Chem Phys. 2019. PMID: 31255065

2

Molecular Level Origin of Ion Dynamics in Highly Concentrated Electrolytes.

Shigenobu K, Tsuzuki S, Philippi F, Sudoh T, Ugata Y, Dokko K, Watanabe M, Ueno K, Shinoda W. Shigenobu K, et al. Among authors: shinoda w. J Phys Chem B. 2023 Dec 7;127(48):10422-10433. doi: 10.1021/acs.jpcb.3c05864. Epub 2023 Nov 28. J Phys Chem B. 2023. PMID: 38015036

3

United-atom acyl chains for CHARMM phospholipids.

Hénin J, Shinoda W, Klein ML. Hénin J, et al. Among authors: shinoda w. J Phys Chem B. 2008 Jun 12;112(23):7008-15. doi: 10.1021/jp800687p. Epub 2008 May 16. J Phys Chem B. 2008. PMID: 18481889 Free PMC article.

4

Large-scale molecular dynamics simulations of self-assembling systems.

Klein ML, Shinoda W. Klein ML, et al. Among authors: shinoda w. Science. 2008 Aug 8;321(5890):798-800. doi: 10.1126/science.1157834. Science. 2008. PMID: 18687954

5

Models for phosphatidylglycerol lipids put to a structural test.

Hénin J, Shinoda W, Klein ML. Hénin J, et al. Among authors: shinoda w. J Phys Chem B. 2009 May 14;113(19):6958-63. doi: 10.1021/jp900645z. J Phys Chem B. 2009. PMID: 19371035 Free PMC article.

6

A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.

Devane R, Shinoda W, Moore PB, Klein ML. Devane R, et al. Among authors: shinoda w. J Chem Theory Comput. 2009 Aug 11;5(8):2115-2124. doi: 10.1021/ct800441u. J Chem Theory Comput. 2009. PMID: 20161179 Free PMC article.

7

Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.

DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB. DeVane R, et al. Among authors: shinoda w. J Phys Chem B. 2010 May 20;114(19):6386-93. doi: 10.1021/jp9117369. J Phys Chem B. 2010. PMID: 20426449

8

Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.

Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO. Chiu CC, et al. Among authors: shinoda w. J Phys Chem B. 2010 May 20;114(19):6394-400. doi: 10.1021/jp9117375. J Phys Chem B. 2010. PMID: 20426450 Free article.

Herein, we derive CG force field parameters for C(60) and SWNTs by using the optimized benzene parameters from part I [DeVane, R.; Chiu, C.-c.; Nielsen, S. O.; Shinoda, W.; Moore, P. B.; Klein, M. L. J. Phys. Chem. B 2010, doi: 10.1021/jp9117369]. ...

Herein, we derive CG force field parameters for C(60) and SWNTs by using the optimized benzene parameters from part I [DeVane, R.; Chiu, C.- …

9

Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field.

Shinoda W, DeVane R, Klein ML. Shinoda W, et al. J Phys Chem B. 2010 May 27;114(20):6836-49. doi: 10.1021/jp9107206. J Phys Chem B. 2010. PMID: 20438090 Free PMC article.

10

Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.

DeVane R, Jusufi A, Shinoda W, Chiu CC, Nielsen SO, Moore PB, Klein ML. DeVane R, et al. Among authors: shinoda w. J Phys Chem B. 2010 Dec 16;114(49):16364-72. doi: 10.1021/jp1070264. Epub 2010 Nov 19. J Phys Chem B. 2010. PMID: 21090655

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