Caricamento...

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The in silico data demonstrated that, despite their molecular differences, all HPIs prese...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Pubblicato in:J Mol Struct
Autori principali: Cardoso, Wesley B., Mendanha, Sebastião A.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier B.V. 2021
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7443253/
https://ncbi.nlm.nih.gov/pubmed/32863430
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molstruc.2020.129143
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !