Areas of Speciality:
- Structure based drug discovery for cancer and immunology
- Computational structural biology and chemistry
- Protein photonics for imaging
Our lab studies the atomic structure of proteins and ligands using computational and experimental approaches. Our primary tools are computational chemistry, machine learning, and X-ray crystallography. We apply our knowledge of structure to help design drugs, deepen understanding of protein structure and function, and address fundamental questions of protein engineering. We focus on drugs for cancer, malaria, and COVID-19.
Research:
- Structure based pharmacology for cancer and immunology
- Hydrogen atoms in protein structure and function
- Applications of machine learning/artificial intelligence to chemistry and drug design
- Mechanisms of photoactive proteins
- Open Source Malaria
Keywords: crystallography, structural biology, drug discovery, computational chemistry, machine learning
Research in 1) structure and computational drug design, 2) biophotonics.
Research: Biochemistry & Molecular Biophysics – Discovers new anti-cancer drugs through structure-based drug design
