Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

The 3CL-Protease appears to be a very promising medicinal target to develop anti-SARS-CoV-2 agents. The availability of resolved structures allows structure-based computational approaches to be carried out even though the lack of known inhibitors prevents a proper validation of the performed simulat...

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Publicado en:Molecules
Autores principales: Manelfi, Candida, Gossen, Jonas, Gervasoni, Silvia, Talarico, Carmine, Albani, Simone, Philipp, Benjamin Joseph, Musiani, Francesco, Vistoli, Giulio, Rossetti, Giulia, Beccari, Andrea Rosario, Pedretti, Alessandro
Formato: Artigo
Lenguaje:Inglês
Publicado: MDPI 2021
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Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC7913849/
https://ncbi.nlm.nih.gov/pubmed/33557115
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26040797
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