Biological systems follow the same physical laws as all other matter in the known universe. Yet, the interplay between innumerable coupled degrees of freedom in the condensed phase results in astounding complexity in the interwoven processes that enable life.
In the Swanson group, we use multiscale simulations to probe the mechanisms and driving forces behind biomolecular processes such as electrochemical charge transport, protein-membrane targeting, lasso peptide folding and bacterial methane oxidation. We are motivated to enable climate, medical, and societal solutions by advancing fundamental knowledge and insight.
We develop and employ a variety of multiscale methods, including ab initio, reactive and classical molecular dynamics simulations; enhanced free energy sampling; and multiscale kinetic modeling. This allows us to probe processes across a range of time and length scales, and ultimately reveal mechanistic insight. We are also actively developing multiscale kinetic modeling methods to characterize the role of kinetic selection and mechanisms of electrochemically driven transport.