Comparative evaluation of methods for the prediction of protein–ligand binding sites

Comparative evaluation of methods for the prediction of protein–ligand binding sites

Abstract The accurate identification of protein–ligand binding sites is of critical importance in understanding and modulating protein function. Accordingly, ligand binding site prediction has remained a research focus for over three decades with over 50 methods developed and a change of paradigm fr...

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Bibliographic Details
Main Authors: Javier S. Utgés, Geoffrey J. Barton
Format: Article
Language:English
Published: BMC 2024-11-01
Series:Journal of Cheminformatics
Subjects:
Ligand binding site prediction
Binding pocket
Benchmark
Reference dataset
Machine learning
Drug discovery
Online Access:https://doi.org/10.1186/s13321-024-00923-z
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https://doi.org/10.1186/s13321-024-00923-z

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