Catching Rare Events in Action with Weighted Ensemble MD
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.
Please use this link to access Zoom.
For any questions, please contact Hyacinth Camillieri at hcamillieri@gc.cuny.edu.