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
地點
https://hkust.zoom.us/j/98675423362
講者/表演者
Mr. Hanlin GU
HKUST
HKUST
主辦單位
Department of Mathematics
聯絡方法
mathseminar@ust.hk
付款詳情
對象
Alumni, Faculty and Staff, PG Students, UG Students
語言
英語
其他活動
11月22日
研討會, 演講, 講座
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...
11月8日
研討會, 演講, 講座
IAS / School of Science Joint Lecture - Some Theorems in the Representation Theory of Classical Lie Groups
Abstract
After introducing some basic notions in the representation theory of classical Lie groups, the speaker will explain three results in this theory: the multiplicity one theorem for classical...