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Open Force Field Evaluator: An Automated, Efficient, and Scalable Framework for the Estimation of Physical Properties from Molecular Simulation.
Boothroyd, Simon; Wang, Lee-Ping; Mobley, David L; Chodera, John D; Shirts, Michael R.
Afiliação
  • Boothroyd S; Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.
  • Wang LP; Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States.
  • Mobley DL; Department of Chemistry, The University of California at Davis, Davis, California 95616, United States.
  • Chodera JD; Departments of Pharmaceutical Sciences and Chemistry, The University of California at Irvine, Irvine, California 92617, United States.
  • Shirts MR; Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.
J Chem Theory Comput ; 18(6): 3566-3576, 2022 Jun 14.
Article em En | MEDLINE | ID: mdl-35507313
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Termodinâmica Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Termodinâmica Idioma: En Ano de publicação: 2022 Tipo de documento: Article