We are a research group led by Dr. Dhiman Ray, at the Department of Chemistry and Biochemistry, University of Oregon, USA. We work on molecular dynamics (MD) simulation of biological systems like proteins and RNA. We develop enhanced sampling, path sampling, and machine-learning algorithms to make MD simulations more accurate and efficient. Our long-term goal is to accurately predict the thermodynamics and kinetics of complex biomolecular processes to understand their mechanisms. Our research has potential application in the rational design of therapeutic drugs against viral infections, antibiotic resistance, and cancer.
