Joseph-McCarthy Group - BU College of Engineering
Research Assistant•Boston, MA•Nov 2024 - Present
- Ran AlphaFold3 multiseed structure prediction for a set of 16 proteins, identifying patterns in cryptic site formation
- Built python workflows with Biopython and NumPy to analyze AF3 predictions for over 24,000 structures, enabling large-scale benchmarking of AF3 prediction accuracy
- Designed ligand RMSD script leveraging RDKit SMARTS mappings to resolve symmetry-related ambiguities, reducing mismapped cases by 12.5%
