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

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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Bibliographic Details
Main Authors: Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani, Benjamin Joseph Philipp, Francesco Musiani, Giulio Vistoli, Giulia Rossetti, Andrea Rosario Beccari, Alessandro Pedretti
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
SARS-CoV-2
3CL-Pro
antivirals
virtual screening
docking simulations
drug repurposing
Online Access:https://www.mdpi.com/1420-3049/26/4/797

Internet

https://www.mdpi.com/1420-3049/26/4/797

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