BiophysicsJournal of Chemical Information and ModelingPeer-reviewed
FlexENN: A Graph Neural Network for Binding Energy Prediction of Globular and Intrinsically Disordered Proteins
Maryum Irshad, Kassandra M Ori-McKenney, Ruxandra I. Dima
The paper introduces FlexENN, a graph neural network that predicts binding energies for both folded and intrinsically disordered protein complexes, showing improved performance over rigid-body methods.
DOI 10.1021/acs.jcim.6c01545