Connecting Protein Dynamics to Function with Biophysical Simulations

11/18/2016 - 4:00pm to 4:50pm
Speaker(s) / Presenter(s): 
Jeff Wereszczynski


Proteins are intrinsically dynamic. By undergoing motions on a wide range of time and length scales, they are able to bind substrates, regulate their own activities, and transmit information over considerable distances. In this talk, I will discuss multiple projects in our group that utilize conventional and enhanced sampling molecular dynamics simulations to probe these dynamical properties for a diverse array of systems. Our results reveal atomic-scale details about how seemingly minor protein modifications can influence molecular motions and interactions and, by working closely with our experimental collaborators, help to discern the molecular mechanisms of biomolecular complexes.

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