Alex Dickson
Position: Alumni
Contact:
Personal Webpage: Link
Research:
Sampling in biomolecular systems is often hindered by free energy barriers in phase space. Single, long trajectories are often inefficient, as they spend most of the time simply waiting for events of interest to happen. Alex is developing enhanced sampling techniques that use multiple short trajectory segments that are spread evenly over a space of order parameters. In this way, sampling of low probability regions (such as transition states) can be enhanced without biasing the dynamics of the system. Development of these methods is being specifically informed by the challenges of sampling rare events in large biomolecular systems, such as the activation of the GPCR Rhodopsin.
Contact:
Personal Webpage: Link
Research:
Sampling in biomolecular systems is often hindered by free energy barriers in phase space. Single, long trajectories are often inefficient, as they spend most of the time simply waiting for events of interest to happen. Alex is developing enhanced sampling techniques that use multiple short trajectory segments that are spread evenly over a space of order parameters. In this way, sampling of low probability regions (such as transition states) can be enhanced without biasing the dynamics of the system. Development of these methods is being specifically informed by the challenges of sampling rare events in large biomolecular systems, such as the activation of the GPCR Rhodopsin.
Funding from the following agencies:
