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Structural insight into precursor tRNA processing by yeast ribonuclease P 期刊论文
SCIENCE, 2018, 卷号: 362, 期号: 6415, 页码: 657-+
Authors:  Lan, Pengfei;  Tan, Ming;  Zhang, Yuebin;  Niu, Shuangshuang;  Chen, Juan;  Shi, Shaohua;  Qiu, Shuwan;  Wang, Xuejuan;  Peng, Xiangda;  Cai, Gang;  Cheng, Hong;  Wu, Jian;  Li, Guohui;  Lei, Ming
Favorite  |  View/Download:4/0  |  Submit date:2019/06/20
Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 3, 页码: 1216-1227
Authors:  Peng, Xiangda;  Zhang, Yuebin;  Li, Yan;  Liu, QingLong;  Chu, Huiying;  Zhang, Dinglin;  Li, Guohui
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids 期刊论文
MOLECULAR PHYSICS, 2018, 卷号: 116, 期号: 7-8, 页码: 1037-1050
Authors:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Min, Hanyi;  Li, Guohui
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Polarizable Atomic Multipole-based Force Field  Membrane Bilayers Model  Dopc  Pope  
A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 1
Authors:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Li, Guohui
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Lipid Polarizable Force Field  Dmpg  Pops  
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
Authors:  Chu, Huiying;  Cao, Liaoran;  Peng, Xiangda;  Li, Guohui
Favorite  |  View/Download:21/0  |  Submit date:2017/12/19
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
Authors:  Chu, Huiying;  Cao, Liaoran;  Peng, Xiangda;  Li, Guohui
Favorite  |  View/Download:21/0  |  Submit date:2017/12/19
Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 6, 页码: 2973-2982
Authors:  Peng, Xiangda;  Zhang, Yuebin;  Chu, Huiying;  Li, Yan;  Zhang, Dinglin;  Cao, Liaoran;  Li, Guohui
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Free Energy Simulations with the AMOEBA Polarizable Force Field and Metadynamics on GPU Platform 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 卷号: 37, 期号: 6, 页码: 614-622
Authors:  Peng, Xiangda;  Zhang, Yuebin;  Chu, Huiying;  Li, Guohui
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Amoeba Polarizable Force Field  Metadynamics  Gpu Acceleration  Free Energy Simulations  Openmm  Plumed  Alanine Dipeptide  Water Simulation  
BP神经网络预测二肽模型多极展开属性计算方法 专利
专利类型: 发明, 专利号: CN201310690175.5, 申请日期: 2015-11-01, 公开日期: 2015-06-17
Inventors:  李国辉;  李焱;  彭向达;  张鼎林
Favorite  |  View/Download:75/0  |  Submit date:2015/11/16
Computational discovery and experimental verification of tyrosine kinase inhibitor pazopanib for the reversal of memory and cognitive deficits in rat model neurodegeneration 期刊论文
CHEMICAL SCIENCE, 2015, 卷号: 6, 期号: 5, 页码: 2812-2821
Authors:  Yang, Yongliang;  Li, Guohui;  Zhao, Dongyu;  Yu, Haoyang;  Zheng, Xiliang;  Peng, Xiangda;  Zhang, Xiaoe;  Fu, Ting;  Hu, Xiaoqing;  Niu, Mingshan;  Ji, Xuefei;  Zou, Libo;  Wang, Jin
Favorite  |  View/Download:41/0  |  Submit date:2015/11/17