Publications .

StrataDock is an automated, GPU-accelerated molecular docking pipeline built on Streamlit, integrating ESMFold for protein structure prediction and GNINA/AutoDock Vina for ligand docking. The platform enables end-to-end drug discovery workflows including ligand preparation, receptor structuring, docking score analysis, and visualization — accessible through an intuitive web interface.

This work applies supervised machine learning algorithms to large-scale healthcare claims and EHR datasets to predict drug–target interaction profiles. Leveraging Oracle 19c data pipelines and Python-based feature engineering, the model identifies at-risk patient cohorts and candidate therapeutic targets with high precision.