Dynamic information from sparse experimental datasets


Principal investigator

Cysteine mutagenesis and subsequent covalent modifications, such as the attachment of fluorescent or paramagnetic probes provides local information about the chemical environment and / or physical separation of the sites of interest. Incorporation of these sparse chemical datasets into molecular dynamics simulations provides a means to compare the local protein environment from experiment to simulations. We use experimental datasets to provide deeper insights into the dynamics of protein structure and function.

Updated:  11 December 2018/Responsible Officer:  Director, RSC/Page Contact:  Web Admin, RSC