Ensemble Docking Coupled to Linear Interaction Energy Calculations for Identification of Coronavirus Main Protease (3CL(pro)) Non-Covalent Small-Molecule Inhibitors

SARS-CoV-2, or severe acute respiratory syndrome coronavirus 2, represents a new strain of Coronaviridae. In the closing 2019 to early 2020 months, the virus caused a global pandemic of COVID-19 disease. We performed a virtual screening study in order to identify potential inhibitors of the SARS-CoV...

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Detalles Bibliográficos
Autores principales: Jukič, Marko, Janežič, Dušanka, Bren, Urban
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7763084/
https://www.ncbi.nlm.nih.gov/pubmed/33316996
http://dx.doi.org/10.3390/molecules25245808

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7763084/
https://www.ncbi.nlm.nih.gov/pubmed/33316996
http://dx.doi.org/10.3390/molecules25245808

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