Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations.

Barazorda-Ccahuana, Haruna Luz; Nedyalkova, Miroslava; Mas, Francesc; Madurga, Sergio

Barazorda-Ccahuana, Haruna Luz; Nedyalkova, Miroslava; Mas, Francesc; Madurga, Sergio.

Afiliação

Barazorda-Ccahuana HL; Materials Science and Physical Chemistry Department & Research Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, 08028 Barcelona, Spain.
Nedyalkova M; Vicerrectorado de Investigación, Universidad Católica de Santa María, Arequipa 04000, Peru.
Mas F; Department of Inorganic Chemistry, University of Sofia "St. Kl. Okhridski", 1164 Sofia, Bulgaria.
Madurga S; Materials Science and Physical Chemistry Department & Research Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona, 08028 Barcelona, Spain.

Polymers (Basel) ; 13(21)2021 Nov 05.

Article em En | MEDLINE | ID: mdl-34771379

Palavras-chave

PF-00835231; SARS-CoV-2 Mpro; docking analysis; molecular dynamics; pH

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Polymers (Basel) Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Espanha

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