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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
Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 26, 页码: 22245-22250
作者:  Peng, Cheng;  Atilaw, Yoseph;  Wang, Jinan;  Xu, Zhijian;  Poongavanam, Vasanthanathan
收藏  |  浏览/下载：23/0  |  提交时间：2020/07/01
A New Sesquiterpenoid from Chrysanthemum indicum 期刊论文
CHEMISTRY OF NATURAL COMPOUNDS, 2019, 页码: 4
作者:  Chen, Jia;  Yang, Xu;  Li, Bo;  Yang, Kun;  Wang, Yiqin
收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01
Discovery of dihydrooxazolo[2,3-a]isoquinoliniums as highly specific inhibitors of hCE2 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 61, 页码: 35904-35912
作者:  Ding, Lixia;  Wang, Lu;  Zou, Kun;  Li, Bo;  Song, Yunqing
收藏  |  浏览/下载：12/0  |  提交时间：2020/07/01
Alkaloids with Nitric Oxide Inhibitory Activities from the Roots of Isatis tinctoria 期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 22, 页码: 9
作者:  Zhang, Dongdong;  Shi, Yanhong;  Li, Jingyi;  Ruan, Deqing;  Jia, Qi
收藏  |  浏览/下载：68/0  |  提交时间：2020/07/01
Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 10, 页码: 4303-4318
作者:  Chen, Jianzhong;  Wang, Jinan;  Yin, Baohua;  Pang, Laixue;  Wang, Wei
收藏  |  浏览/下载：114/0  |  提交时间：2020/07/01
Partial Melting and Crustal Deformation during the Early Paleozoic Wuyi-Yunkai Orogeny: Insights from Zircon U-Pb Geochronology and Structural Analysis of the Fuhuling Migmatites in the Yunkai Region, South China 期刊论文
MINERALS, 2019, 卷号: 9, 期号: 10, 页码: 27
作者:  Zhang, Junhao;  Liu, Weiliang;  Yakymchuk, Chris;  Sa, Rina;  Zeng, Zhen
收藏  |  浏览/下载：3/0  |  提交时间：2020/04/27
Lignans from Isatis indigotica roots and their inhibitory effects on nitric oxide production 期刊论文
FITOTERAPIA, 2019, 卷号: 137, 页码: 6
作者:  Zhang, Dongdong;  Li, Jingyi;  Ruan, Deqing;  Chen, Zhaoqiang;  Zhu, Weiliang
收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3353-3358
作者:  Chen, Zhaoqiang;  Zhang, Xinben;  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian
收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01

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