Rowley, Christopher

The Rowley Group uses computer simulations to study biological and materials chemistry. We use a combination of molecular simulation, quantum chemistry, and machine learning to understand complex chemical systems and then to use these ideas to predict and design new chemical systems. Our core areas of interest are protein–drug binding, covalent modifier drugs, membrane permeation, and cryo-EM structure refinement. To make our models more accurate and to explore new types of chemistry, we develop new methods for computational chemistry, such as our hybrid neural network potential / molecular mechanical model.

For more information, visit the Rowley Group.