Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes.

MacDermaid, Christopher M; Kashyap, Hemant K; DeVane, Russell H; Shinoda, Wataru; Klauda, Jeffery B; Klein, Michael L; Fiorin, Giacomo

MacDermaid, Christopher M; Kashyap, Hemant K; DeVane, Russell H; Shinoda, Wataru; Klauda, Jeffery B; Klein, Michael L; Fiorin, Giacomo.

Afiliação

MacDermaid CM; Institute for Computational Molecular Science, Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122-1801, USA.
Kashyap HK; Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India.
DeVane RH; Modeling and Simulation, Corporate Research and Development, The Procter and Gamble Company, West Chester, Ohio 45069, USA.
Shinoda W; Department of Applied Chemistry, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan.
Klauda JB; Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742, USA.
Klein ML; Institute for Computational Molecular Science, Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122-1801, USA.
Fiorin G; Institute for Computational Molecular Science, Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122-1801, USA.

J Chem Phys ; 143(24): 243144, 2015 Dec 28.

Article em En | MEDLINE | ID: mdl-26723629

Assuntos

Alcanos/química; Colesterol/química; Bicamadas Lipídicas/química; Simulação de Dinâmica Molecular; Fosfolipídeos/química; Termodinâmica

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Fosfolipídeos / Colesterol / Alcanos / Simulação de Dinâmica Molecular / Bicamadas Lipídicas Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Estados Unidos

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