LigBind: Identifying Binding Residues for Over 1000 Ligands with Relation-Aware Graph Neural Networks
Ying Xia, Xiaoyong Pan, Hong‐Bin Shen
Topics & Concepts
Computational biologyLigand (biochemistry)Computer scienceBinding siteProtein ligandGraphChemistryBiologyTheoretical computer scienceBiochemistryReceptorComputational Drug Discovery MethodsProtein Structure and DynamicsRNA and protein synthesis mechanisms