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In Silico-Guided Discovery of Potential HIV-1 Entry Inhibitors Mimicking bNAb N6: Virtual Screening, Docking, Molecular Dynamics, and Post-Molecular Modeling Analysis.

Alexander M. AndrianovGrigory I. NikolaevYuri V. KornoushenkoAnna D. KarpenkoIvan P. BoskoAlexander V. Tuzikov
Published in: ISBRA (2020)
Keyphrases
  • molecular dynamics
  • drug discovery
  • virtual screening
  • databases
  • data analysis
  • data mining
  • machine learning
  • knowledge discovery
  • biologically inspired
  • scientific data