Ruxandra I. Dima

FlexENN: A Graph Neural Network for Binding Energy Prediction of Globular and Intrinsically Disordered Proteins

Abstract Intrinsically disordered proteins (IDPs) drive a large fraction of cellular signaling, transcription, and assembly through interfaces that often lack a defined geometry, making the prediction of their binding energies challenging for methods developed primarily for folded complexes. Here, we introduce FlexENN,...