Co-Director, CPCB
PhD in Computer Science, Carnegie Mellon University
412-383-5745
dkoes@pitt.edu
Office: 748 MURD
Lab Website
Research Summary
Removing barriers to computational drug discovery one bit at a time
I develop and apply innovative computational methods to accelerate drug discovery. By combining machine learning, discrete algorithms, and structural modeling, my research aims to transform how we identify new therapeutics. A key focus of my work is transforming these methods into open source, easy-to-use software platforms that lower the barrier to entry for drug discovery, empowering researchers across disciplines.
Teaching
COBB2035: Modern Methods for Structure Based Drug Discovery
An introduction to the modern computational approaches and governing physical and chemical principles that underpin structure-based drug discovery.
Fall Semester (2025-)
COBB2060: Machine Learning for Biomedical Applications
Successor to Scalable. Less distributed and cloud computing.
The focus remains on applications rather than theory. Co-taught with Maria Chikina
Spring Semester (2025-)