Sanjana Anilkumar Nair

This study evaluates scoring metrics for AlphaFold2 and AlphaFold3 protein complex predictions, finding that interface-specific scores like ipTM and model confidence are most reliable, and introduces a new combined score, C2Qscore, to improve assessment.

PICKLUSTER identifies sub-interfaces in protein-protein complexes using distance clustering to improve targeting of large interfaces.

JEDII predicts DNA-protein interaction residues, nucleotides, and amino acids by analyzing structural hydrogen-bonding interactions, achieving high accuracy in binding site prediction.

This paper predicts and designs therapeutics against Nipah virus by modeling its proteins, identifying peptide and small molecule inhibitors, and analyzing viral strain sequences for drug resistance.