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To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough.
Pitman, Mary; Hahn, David F; Tresadern, Gary; Mobley, David L.
Afiliação
  • Pitman M; Department of Pharmacy & Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.
  • Hahn DF; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, Beerse, B-2340, Belgium.
  • Tresadern G; Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, Beerse, B-2340, Belgium.
  • Mobley DL; Department of Pharmacy & Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.
J Chem Inf Model ; 63(6): 1776-1793, 2023 03 27.
Article em En | MEDLINE | ID: mdl-36878475
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2023 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: Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2023 Tipo de documento: Article