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Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative.
Slochower, David R; Henriksen, Niel M; Wang, Lee-Ping; Chodera, John D; Mobley, David L; Gilson, Michael K.
  • Slochower DR; Skaggs School of Pharmacy and Pharmaceutical Sciences , University of California, San Diego , La Jolla , California 92093 , United States.
  • Henriksen NM; Skaggs School of Pharmacy and Pharmaceutical Sciences , University of California, San Diego , La Jolla , California 92093 , United States.
  • Wang LP; Department of Chemistry , University of California , Davis , California 95616 , United States.
  • Chodera JD; Computational and Systems Biology Program, Sloan Kettering Institute , Memorial Sloan Kettering Cancer Center , New York , New York 10065 , United States.
  • Mobley DL; Department of Pharmaceutical Sciences and Department of Chemistry , University of California , Irvine , California 92697 , United States.
  • Gilson MK; Skaggs School of Pharmacy and Pharmaceutical Sciences , University of California, San Diego , La Jolla , California 92093 , United States.
J Chem Theory Comput ; 15(11): 6225-6242, 2019 Nov 12.
Article en En | MEDLINE | ID: mdl-31603667
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Modelos Moleculares / Ligandos Tipo de estudio: Prognostic_studies Idioma: En Año: 2019 Tipo del documento: Article
Texto completo
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Modelos Moleculares / Ligandos Tipo de estudio: Prognostic_studies Idioma: En Año: 2019 Tipo del documento: Article