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virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations.

Umesh PanwarSanjeev Kumar Singh
Published in: Comput. Biol. Chem. (2021)
Keyphrases
  • drug discovery
  • virtual screening
  • database
  • coarse grained
  • hiv protease
  • early stage
  • chemical structures