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Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge.
Azimi, Solmaz; Wu, Joe Z; Khuttan, Sheenam; Kurtzman, Tom; Deng, Nanjie; Gallicchio, Emilio.
Afiliação
  • Azimi S; Department of Chemistry, Brooklyn College of the City University of New York, Brooklyn NY, USA.
  • Wu JZ; PhD Program in Biochemistry, Graduate Center of the City University of New York, New York, NY, USA.
  • Khuttan S; Department of Chemistry, Brooklyn College of the City University of New York, Brooklyn NY, USA.
  • Kurtzman T; PhD Program in Chemistry, Graduate Center of the City University of New York, New York, NY, USA.
  • Deng N; Department of Chemistry, Brooklyn College of the City University of New York, Brooklyn NY, USA.
  • Gallicchio E; PhD Program in Biochemistry, Graduate Center of the City University of New York, New York, NY, USA.
J Comput Aided Mol Des ; 36(1): 63-76, 2022 01.
Article em En | MEDLINE | ID: mdl-35059940
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article