Kamerlin Group

We develop and apply computational tools to solve important problems at the chemistry-biology interface. Using state-of-the-art computational techniques including quantum mechanical, classical mechanical, and hybrid methods, we explore the physical and chemical aspects that underlie enzyme catalysis. We are particularly interested in catalytic promiscuity and the evolution of protein function. Our aim is to develop new systems with greater catalytic proficiencies or altered functionalities. The lab takes an interdisciplinary approach, spanning physical organic chemistry, biochemistry, structural biology, and theory. At each stage, we work closely with leading experimental collaborators.