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Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载:18/0  |  提交时间:2021/05/24
Intrinsic stability study of L-alpha-glycerylphosphorylcholine with HPLC method development and validation 期刊论文
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2020, 卷号: 188, 页码: 6
作者:  Zhao, Hongwei;  Sun, Ling;  Chen, Huanhuan;  Xiang, Lili;  Chen, Dongying
收藏  |  浏览/下载:11/0  |  提交时间:2020/12/24
Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载:47/0  |  提交时间:2020/07/01
Discovery of a novel protein kinase C activator from Croton tiglium for inhibition of non-small cell lung cancer 期刊论文
PHYTOMEDICINE, 2019, 卷号: 65, 页码: 11
作者:  Wang Yuwei;  Tang Chunping;  Yao Sheng;  Lai Huanling;  Li Runze
收藏  |  浏览/下载:38/0  |  提交时间:2020/07/01
Ligand binding effects on the activation of the EGFR extracellular domain 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 15, 页码: 8141-8151
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:8/0  |  提交时间:2020/07/01
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载:59/0  |  提交时间:2019/01/08
Study on Optimization of Drug Pharmaceutical Properties by Ultrasonic Spray Drying 期刊论文
Chinese Journal of Modern Applied Pharmacy, 2017, 卷号: 34, 期号: 8, 页码: 1089-1093
作者:  Zhang Sha;  Gu Wangwen;  Wang Siling
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 42, 页码: 29170-29182
作者:  Shao, Qiang
收藏  |  浏览/下载:13/0  |  提交时间:2019/01/08
Electron interaction with a DNA duplex: dCpdC:dGpdG 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 19, 页码: 13657-13665
作者:  Gu, Jiande;  Wang, Jing;  Leszczynski, Jerzy
收藏  |  浏览/下载:61/0  |  提交时间:2019/01/08
Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/ implicit solvent REMD simulation 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 12
作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:7/0  |  提交时间:2019/01/08


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