Your browser doesn't support javascript.
loading
How Reproducible Are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur.
Giudetti, Goran; Polyakov, Igor; Grigorenko, Bella L; Faraji, Shirin; Nemukhin, Alexander V; Krylov, Anna I.
Afiliação
  • Giudetti G; Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, United States.
  • Polyakov I; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russia.
  • Grigorenko BL; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russia.
  • Faraji S; Zernike Institute for Advanced Materials, University of Groningen, Groningen, 9747 AG The Netherlands.
  • Nemukhin AV; Department of Chemistry, Lomonosov Moscow State University, Moscow, 119991, Russia.
  • Krylov AI; Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, United States.
J Chem Theory Comput ; 18(8): 5056-5067, 2022 Aug 09.
Article em En | MEDLINE | ID: mdl-35797455
Assuntos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Teoria Quântica / COVID-19 Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Teoria Quântica / COVID-19 Idioma: En Ano de publicação: 2022 Tipo de documento: Article