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Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening.
Rubio-Martínez, Jaime; Jiménez-Alesanco, Ana; Ceballos-Laita, Laura; Ortega-Alarcón, David; Vega, Sonia; Calvo, Cristina; Benítez, Cristina; Abian, Olga; Velázquez-Campoy, Adrián; Thomson, Timothy M; Granadino-Roldán, José Manuel; Gómez-Gutiérrez, Patricia; Pérez, Juan J.
Afiliação
  • Rubio-Martínez J; Department of Materials Science and Physical Chemistry, University of Barcelona and the Institut de Recerca en Quimica Teorica i Computacional (IQTCUB), 08028 Barcelona, Spain.
  • Jiménez-Alesanco A; Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Ceballos-Laita L; Departamento de Bioquímica y Biología Molecular y Celular, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Ortega-Alarcón D; Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Vega S; Instituto de Investigación Sanitaria de Aragón (IIS Aragon), 50009 Zaragoza, Spain.
  • Calvo C; Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Benítez C; Departamento de Bioquímica y Biología Molecular y Celular, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Abian O; Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain.
  • Velázquez-Campoy A; Centro de Investigación Biomédica en Red en el Área Temática de Enfermedades Hepáticas Digestivas (CIBERehd), 28029 Madrid, Spain.
  • Thomson TM; Institute of Molecular Biology of Barcelona (IBMB-CSIC), 08028 Barcelona, Spain.
  • Granadino-Roldán JM; Centro de Investigación Biomédica en Red en el Área Temática de Enfermedades Hepáticas Digestivas (CIBERehd), 28029 Madrid, Spain.
  • Gómez-Gutiérrez P; Institute of Molecular Biology of Barcelona (IBMB-CSIC), 08028 Barcelona, Spain.
  • Pérez JJ; Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain.
J Chem Inf Model ; 61(12): 6094-6106, 2021 12 27.
Article em En | MEDLINE | ID: mdl-34806382
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Produtos Biológicos / COVID-19 Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article
Texto completo
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XML
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Produtos Biológicos / COVID-19 Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article