Saikat Dhibar

Abstract Allostery is essential for regulating biochemical pathways, where ligand binding at one site influences enzymatic activity at a distant functional site. Identifying allosteric sites and mapping signal transduction pathways in biomolecules remain a significant challenge. Existing experimental or computational methods, in general, can identify a subset of total allosteric network.

Abstract Accurate prediction of enzyme function, particularly for newly discovered uncharacterized sequences, is immensely important for modern biology research. Recently machine learning (ML) based methods have shown promises. However, such tools often suffer from complexity in feature extraction, interpretability, and generalization ability.