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Quantum biochemistry, molecular docking, and dynamics simulation revealed synthetic peptides induced conformational changes affecting the topology of the catalytic site of SARS-CoV-2 main protease.
Amaral, Jackson L; Oliveira, Jose T A; Lopes, Francisco E S; Freitas, Cleverson D T; Freire, Valder N; Abreu, Leonardo V; Souza, Pedro F N.
Afiliación
  • Amaral JL; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Brazil.
  • Oliveira JTA; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Brazil.
  • Lopes FES; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Brazil.
  • Freitas CDT; Center for Permanent Education in Health Care, CEATS/School of Public Health of Ceará-ESP-CE, Fortaleza, Brazil.
  • Freire VN; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Brazil.
  • Abreu LV; Department of Physics, Federal University of Ceará, Fortaleza, Brazil.
  • Souza PFN; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Brazil.
J Biomol Struct Dyn ; 40(19): 8925-8937, 2022.
Article en En | MEDLINE | ID: mdl-33949286
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: SARS-CoV-2 / COVID-19 Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2022 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: SARS-CoV-2 / COVID-19 Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2022 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido