Arup Mondal

The paper introduces NEF, a standard for NMR data exchange, and demonstrates its application in structure determination, metabolomics, and ligand screening.

The paper investigates how sequence variations in BET ET domains influence paralog-specific peptide recognition through loop dynamics and conformational changes.

MELD-Adapt dynamically evaluates data reliability to improve structure prediction accuracy by adjusting initial beliefs and identifying reliable data fractions.

PRIME improves identification of native-like protein structures from MD simulations by using extended similarity indices, achieving lower RMSD than traditional centroid-based methods.

This paper introduces a computational pipeline using AlphaFold2 to prioritize protein-protein binding candidates from high-throughput libraries and identify binding epitopes.