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.
Author
Tiziano Tuccinardi
1
Affiliation
1
Department of Pharmacy, University of Pisa, Pisa, Italy.
PMID:
34165011
DOI:
10.1080/17460441.2021.1942836
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