The Structural Context of Mutations in Proteins Predicts Their Effect on Antibiotic Resistance

Published in Submitted to eLife, 2025

Status: Submitted to eLife. Preprint: bioRxiv 2025.09.23.676583 (2025)
Summary: Leverages residue-level structural descriptors—solvent accessibility, hydrogen-bonding networks, and ligand proximity—to explain and predict resistance across Mycobacterium tuberculosis drug targets. Structural context improves both AUROC and attribution faithfulness over sequence-only models.