Biochemistry Seminar: Lillian Chong, "Catching Rare Events in Action with Weighted Ensemble MD"
Lillian Chong, Professor, Computational Biophysics, Biomolecular Simulations, Department of Chemistry, University of Pittsburgh, Pittsburgh, PA, will give a talk titled, "Catching Rare Events in Action with Weighted Ensemble MD."
This seminar will also be available by Zoom. Zoom link: ; Meeting ID 921 2527 1835. Passcode: sbiandccny
Please note:
* Full names must be used to be admitted to the Zoom meeting.
* The Zoom meeting will be closed and locked at 12:15 p.m., and no one will be able to enter the meeting after that time.
ABSTRACT
Rare biological and chemical events often lie beyond the reach of conventional simulations. The weighted ensemble (WE) path sampling strategy overcomes this barrier, extending accessible timescales by orders of magnitude while maintaining rigorous kinetics. By directly simulating pathways and stepwise rates, WE reveals molecular mechanisms in unprecedented detail. In this talk, I will highlight recent advances in WE methodology and showcase applications to hidden protein states and chemical reactions.