Mesoscale Simulation to Study Constitutive Properties of TATB/F(2314) PBX

por Ge, Siyu, Zhang, Wenying, Sang, Jian, Yuan, Shuai, Lo, Glenn V., Dou, Yusheng
Publicado 2019

A Photophysical Deactivation Channel of Laser-Excited TATB Based on Semiclassical Dynamics Simulation and TD-DFT Calculation

por Zhang, Wenying, Sang, Jian, Cheng, Jie, Ge, Siyu, Yuan, Shuai, Lo, Glenn V., Dou, Yusheng
Publicado 2018

Molecular Dynamics Simulation of Transmembrane Transport of Chloride Ions in Mutants of Channelrhodopsin

por Zhang, Wenying, Yang, Ting, Zhou, Shuangyan, Cheng, Jie, Yuan, Shuai, Lo, Glenn V., Dou, Yusheng
Publicado 2019

Exploration of the Misfolding Mechanism of Transthyretin Monomer: Insights from Hybrid-Resolution Simulations and Markov State Model Analysis

por Zhou, Shuangyan, Cheng, Jie, Yang, Ting, Ma, Mingyue, Zhang, Wenying, Yuan, Shuai, Lo, Glenn V., Dou, Yusheng
Publicado 2019

The effect on ion channel of different protonation states of E90 in channelrhodopsin-2: a molecular dynamics simulation

por Cheng, Jie, Zhang, Wenying, Zhou, Shuangyan, Ran, Xu, Shang, Yiwen, Lo, Glenn V., Dou, Yusheng, Yuan, Shuai
Publicado 2021

Modeling the syn-cycle in the light activated opening of the channelrhodopsin-2 ion channel

por Xin, Qi, Cheng, Jie, Wang, Hongwei, Zhang, Wenying, Lu, Hong, Zhou, Junpeng, Lo, Glenn V., Dou, Yusheng, Yuan, Shuai
Publicado 2022