Assessing interaction recovery of predicted protein-ligand poses

Abstract The field of protein-ligand pose prediction has seen significant advances in recent years, with machine learning-based methods now being commonly used in lieu of classical docking methods or even to predict all-atom protein-ligand complex structures. Most contemporary studies focus on the a...

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Bibliographic Details
Main Authors: David Errington, Constantin Schneider, Cédric Bouysset, Frédéric A. Dreyer
Format: Article
Language:English
Published: BMC 2025-05-01
Series:Journal of Cheminformatics
Online Access:https://doi.org/10.1186/s13321-025-01011-6
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