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When the Dust Has Settled: Calculation of Binding Affinities from First Principles for SARS-CoV-2 Variants with Quantitative Accuracy.
Coderc de Lacam, Emma Goulard; Blazhynska, Marharyta; Chen, Haochuan; Gumbart, James C; Chipot, Christophe.
Afiliação
  • Coderc de Lacam EG; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No 7019, Université de Lorraine, B.P. 70239, Vandœuvre-lès-Nancy Cedex 54506, France.
  • Blazhynska M; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No 7019, Université de Lorraine, B.P. 70239, Vandœuvre-lès-Nancy Cedex 54506, France.
  • Chen H; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No 7019, Université de Lorraine, B.P. 70239, Vandœuvre-lès-Nancy Cedex 54506, France.
  • Gumbart JC; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.
  • Chipot C; Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche No 7019, Université de Lorraine, B.P. 70239, Vandœuvre-lès-Nancy Cedex 54506, France.
J Chem Theory Comput ; 18(10): 5890-5900, 2022 Oct 11.
Article em En | MEDLINE | ID: mdl-36108303
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Enzima de Conversão de Angiotensina 2 / COVID-19 Limite: Humans Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2022 Tipo de documento: Article País de afiliação: França
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Enzima de Conversão de Angiotensina 2 / COVID-19 Limite: Humans Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2022 Tipo de documento: Article País de afiliação: França