Published July 20, 2022
| Version v1
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Repositioning of drugs against Sars-Cov2 variants: a virtual screening approach combined with molecular dynamics simulations to target Spike Protein/ACE2 interface
Authors/Creators
- 1. Institute of Chemical Sciences and Technologies ''Giulio Natta'' (SCITEC)-CNR, 00168 Rome, Italy
- 2. Department of Translational Medicine and Surgery, Section of General Pathology, Università Cattolica del Sacro Cuore, 00168 Rome, Italy
- 3. Department of Medicine and Surgery, Section of Human, Clinic and Forensic Anatomy, University of Perugia, 06132 Perugia, Italy
Description
Three-dimensional structures of predicted complexes obtained by molecular docking and MD simulation trajectories of top ranked complexes.