A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2020; you can also visit the original URL.
The file type is application/pdf
.
Protein pocket detection via convex hull surface evolution and associated Reeb graph
2018
Bioinformatics
Motivation: Protein pocket information is invaluable for drug target identification, agonist design, virtual screening and receptor-ligand binding analysis. A recent study indicates that about half holoproteins can simultaneously bind multiple interacting ligands in a large pocket containing structured sub-pockets. Although this hierarchical pocket and sub-pocket structure has a significant impact to multi-ligand synergistic interactions in the protein binding site, there is no method available
doi:10.1093/bioinformatics/bty598
pmid:30423105
pmcid:PMC6129271
fatcat:qkgmoznncnd3jf7kewi2opuy6e