Our group has broad research interests, that focus on applying the tools of computational (bio)chemistry to understanding the chemical basis for complex biological problems. This spans a range of scientific questions, from understanding fundamental chemical reactivity through to understanding the physicochemical parameters that allow for the evolution of new enzyme functions. Current projects in the research group include: (1) Studying the role of conformational dynamics in enzyme evolution, focusing in particular on protein tyrosine phosphatases and the enzymes of histidine and tryptophan biosynthesis. (2) Understanding the origin and emergence of the earliest proteins. (3) Engineering novel enzymes for biocatalysis. (4) Protein-DNA recognition, with a focus on transcription factor-DNA interactions. (5) The development of new approaches for computational enzymology, combined with force field parameterization and as dictated by the needs of individual projects, including in particular network models for understanding residue interaction networks and protein allostery. Finally, although we primarily work with biological macromolecules, we are also interested in answering fundamental questions in physical organic chemistry, focusing on the study of small molecules (with a particular interest in phosphoryl and related group transfer reactions). For further information, please see our publication list.
HOME OF THE KAMERLIN LAB 