Repositioning of drugs against Sars-Cov2 variants: a virtual screening approach combined with molecular dynamics simulations to target Spike Protein/ACE2 interface

  • Davide Pirolli (Creatore)
  • Benedetta Righino (Creatore)
  • Chiara Camponeschi (Creatore)
  • Francesco Ria (Creatore)
  • Gabriele Di Sante (University of Perugia) (Creatore)
  • Maria Cristina De Rosa (Creatore)

Dataset

Description

Three-dimensional structures of predicted complexes obtained by molecular docking and MD simulation trajectories of top ranked complexes.
Dati resi disponibili20 lug 2022
EditoreZENODO

Cita questo