E(3) equivariant graph neural networks for robust and accurate protein-protein interaction site prediction.

Artificial intelligence-powered protein structure prediction methods have led to a paradigm-shift in computational structural biology, yet contemporary approaches for predicting the interfacial residues (i.e., sites) of protein-protein interaction (PPI) still rely on experimental structures. Recent...

Full description

Bibliographic Details
Main Authors: Rahmatullah Roche, Bernard Moussad, Md Hossain Shuvo, Debswapna Bhattacharya
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2023-08-01
Series:PLoS Computational Biology
Online Access:https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1011435&type=printable