IBD PathwaysAbout
I'm an AI/ML scientist with an extensive background in drug discovery and materials engineering. I specialize in developing AI/ML workflows that integrate enterprise systems with cloud computing platforms like AWS.
I'm currently focused on applying cheminformatics as a part of collaborative drug discovery. In my free time I develop educational resources for patients with Inflammatory Bowel Disease.
Research Interests
Drug Discovery
Applying cheminformatics and machine learning to accelerate the identification and optimization of small-molecule drug candidates.
Advanced Optical Materials, 2014
Materials Engineering
Leveraging computational simulation to design novel materials with targeted properties for energy conversion and storage.
Journal of Chemical Theory and Computation, 2021
Protein/Peptide Design
Using molecular simulation to engineer proteins and peptides with desired structural and functional properties.
The Journal of Physical Chemistry Letters, 2014
Molecular Simulation
Developing coarse-grained models and refining QM models to understand molecular behavior at scale.