专题报告:Hybrid Multiscale Models for Simulating Functional Motion in Macromolecular Complexes
Professor, Department of Structural Biology, Stanford University;
2013 Nobel Laureate for Chemistry (shared with Martin Karplus and Arieh Warshel);
Fellow of the Royal Society;
Member of the American Academy of Arts and Sciences;
Member of the US National Academy of Sciences.
时间:2017年10月20日(星期五)10:30-12:00
地点:北京大学二体地下B101报告厅
主持人:汤超 教授
摘要:We present new work on simulating motion of large macromolecules by Torsional Normal Mode and Natural Move Monte Carlo sampling, by using restrained distance minimization to morph between states and by using Markov State Models based on all-atom Molecular Dynamics simulation. Methods are explained and applied to large RNA molecules as well as to the large RNA/Protein Complexes, yeast RNA polymerase II and the prokaryote ribosome.