Physical Chemistry Seminar "Investigation of Power Stroke of Human Cardiac β Myosin with Metadynamics"


4 to 5 p.m., Feb. 26, 2024


The power stroke of human cardiac β myosin is an essential step in the cross-bridge cycle for the generation of muscular force. Despite its significance, there have been few direct investigations of this process due to the limited availability of relevant crystal structures and the complexity of both experimental and computational methodologies. We have employed metadynamics simulations to reconstruct the power stroke mechanism, thereby providing insights into the role of the thin filament, the impact of the R712L mutation associated with hypertrophic cardiomyopathy (HCM), and the influence of a new medication for HCM.


Bai Hei
Graduate Student, Chemistry and Biochemistry, The University of Arizona