Analysis of Protein-Protein Interactions for Intermolecular Bond Prediction.

ABSTRACT: Protein-protein interactions often involve a complex system of intermolecular interactions between residues and atoms at the binding site. A comprehensive exploration of these interactions can help reveal key residues involved in protein-protein recognition that are not obvious using other protein analysis techniques. This paper presents and extends DiffBond, a novel method for identifying and classifying intermolecular bonds while applying standard definitions of bonds in chemical literature to explain protein interactions. DiffBond predicted intermolecular bonds from four protein complexes: Barnase-Barstar, Rap1a-raf, SMAD2-SMAD4, and a subset of complexes formed from three-finger toxins and nAChRs. Based on validation through manual literature search and through comparison of two protei

SUBMITTER: Tam JZ 

PROVIDER: S-EPMC9572624 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature