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Can toy models guide detailed dynamics simulations in studying molecular machines?
2012-04-13     Text Size:  A
Institute of Theoretical Physics
Chinese Academy of Sciences
学术报告
Title
题目
Can toy models guide detailed dynamics simulations in studying molecular machines?
Speaker
报告人
喻进 助理教授
北京计算科学研究中心
Date
日期
2012-04-13 AM 10:30 Friday
Venue
地点
Conference Hall 322, ITP/理论物理所322报告厅
Abstract
摘要

Molecular machines moving along DNA or RNA are involved in almost every aspect of genetic processes. Since these machines work across time scales of several orders of magnitude, it is hard to study them computationally from a single approach. In this talk, I will introduce my modeling and computational work on DNA/RNA helicases, polymerases, and a packaging motor, by using all-atom molecular dynamics simulations, coarse-grained models, and stochastic or kinetic modeling based on experimental data. In particular, I want to show some interesting perspectives obtained by studying simple models related closely to experimental results. I will explore the possibility of using these models 'top down' to guide detailed dynamics simulations 'bottom up' in order to discover functional mechanisms of these molecular machines.

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