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Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.
Lee, Christopher T; Comer, Jeffrey; Herndon, Conner; Leung, Nelson; Pavlova, Anna; Swift, Robert V; Tung, Chris; Rowley, Christopher N; Amaro, Rommie E; Chipot, Christophe; Wang, Yi; Gumbart, James C.
Afiliação
  • Lee CT; Department of Chemistry and Biochemistry, University of California, San Diego , 9500 Gilman Drive, La Jolla, California 92093-0340, United States.
  • Comer J; Nanotechnology Innovation Center of Kansas State, Institute of Computational Comparative Medicine, Department of Anatomy and Physiology, Kansas State University , P-213 Mosier Hall, Manhattan, Kansas 66506, United States.
  • Herndon C; School of Physics, Georgia Institute of Technology , 837 State Street, Atlanta, Georgia 30332, United States.
  • Leung N; Department of Physics, The Chinese University of Hong Kong , Shatin, Hong Kong SAR, China.
  • Pavlova A; School of Physics, Georgia Institute of Technology , 837 State Street, Atlanta, Georgia 30332, United States.
  • Swift RV; Department of Chemistry and Biochemistry, University of California, San Diego , 9500 Gilman Drive, La Jolla, California 92093-0340, United States.
  • Tung C; Department of Physics, The Chinese University of Hong Kong , Shatin, Hong Kong SAR, China.
  • Rowley CN; Department of Chemistry, Memorial University of Newfoundland , St. John's, NL A1B 3X7 Canada.
  • Amaro RE; Department of Chemistry and Biochemistry, University of California, San Diego , 9500 Gilman Drive, La Jolla, California 92093-0340, United States.
  • Chipot C; Laboratoire International Associé Centre National de la Recherche Scientifique and University of Illinois at Urbana-Champaign, UMR n° 7565, Université de Lorraine , B.P. 70239, 54506 Vandœuvre-lès-Nancy, France.
  • Wang Y; Beckman Institute for Advanced Science and Technology and Department of Physics, University of Illinois at Urbana-Champaign , 405 North Mathews, Urbana, Illinois 61801, United States.
  • Gumbart JC; Department of Physics, The Chinese University of Hong Kong , Shatin, Hong Kong SAR, China.
J Chem Inf Model ; 56(4): 721-33, 2016 04 25.
Article em En | MEDLINE | ID: mdl-27043429
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Modelos Moleculares / Permeabilidade da Membrana Celular / Bicamadas Lipídicas Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Modelos Moleculares / Permeabilidade da Membrana Celular / Bicamadas Lipídicas Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Estados Unidos