What is the current value of MM/PBSA and MM/GBSA methods in drug discovery?

Expert Opin Drug Discov. 2021 Nov;16(11):1233-1237. doi: 10.1080/17460441.2021.1942836. Epub 2021 Jun 24.
No abstract available

Keywords: Docking; MM/GBSA; MM/PBSA; drug design; scoring function; virtual screening.

Publication types

  • Editorial

MeSH terms

  • Binding Sites
  • Drug Discovery*
  • Humans
  • Ligands
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation*
  • Protein Binding

Substances

  • Ligands