What, Why & How
Our research is focused on providing a detailed molecular-level understanding of complex biological problems. Toward this end, we develop and apply Multiscale Modeling Methods that are able to address biochemical questions that span large spatial and temporal scales. The study of biocatalysis requires the design of a special set of tools for Quantum Biophysics. Of particular interest to us is gaining a fundamental understanding of the interplay between RNA Structure, Folding and Catalysis. An overarching theme of our research is to bridge the gap between theory and experiment in order to obtain a unified view of mechanism with our Network of Collaborators.
Our multiscale modeling methods integrate a hierarchy of theoretical methods that work together to address complex chemical problems that span a large range of spatial and temporal scales.
Biological systems present special challenges for quantum chemical models. In order to extend the application scope of quantum methods to large biological systems, methods must be formulated that are extremely efficient, and scale linearly with system size.
The role of RNA in cellular function is vast, ranging from the regulation of gene expression and signaling pathways to catalysis of important biochemical reactions. We apply state-of-the-art theoretical methods to study how the structure, folding and catalytic properties of RNA work together to perform these roles.