Cryo-EM detects protein conformations froze in solution, and thus provides a promising way to characterize these conformational changes. In order to detect the conformational change, we developed a new algorithm to obtain multiple conformations and their populations from Cryo-EM datasets. In our algorithm, we constructed our “basis set” (as templates) by applying Molecular Dynamics (MD) simulations to widely search the conformational space, and then perform the fast assignment of experimental Cryo-EM 2D images to a set of reference 2D images generated by these basis-set structures. We find that our algorithm holds promise to be widely applied to elucidate the dynamic ensemble of protein conformations from Cryo-EM datasets.
5月14日
5:00pm - 6:00pm
地点
https://hkust.zoom.us/j/98675423362
讲者/表演者
Mr. Hanlin GU
HKUST
主办单位
Department of Mathematics
联系方法
mathseminar@ust.hk
付款详情
对象
Alumni, Faculty and Staff, PG Students, UG Students
语言
英语
其他活动
3月24日
研讨会, 演讲, 讲座
IAS / School of Science Joint Lecture - Pushing the Limit of Nonlinear Vibrational Spectroscopy for Molecular Surfaces/Interfaces Studies
Abstract Surfaces and interfaces are ubiquitous in Nature. Sum-frequency generation vibrational spectroscopy (SFG-VS) is a powerful surface/interface selective and sub-monolayer sensitive spect...
11月22日
研讨会, 演讲, 讲座
IAS / School of Science Joint Lecture - Leveraging Protein Dynamics Memory with Machine Learning to Advance Drug Design: From Antibiotics to Targeted Protein Degradation
Abstract Protein dynamics are fundamental to protein function and encode complex biomolecular mechanisms. Although Markov state models have made it possible to capture long-timescale protein co...