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

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.

Files

complexes_structures.zip

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md5:53e6c036e53052aeebfa133fa2c52b25
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