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Molecular docking, binding free energy analysis, and biological evaluation of bisabolonalone hydrazone carboxamides as H+,K+-ATPase reversible inhibitors 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2018, 卷号: 27, 期号: 1, 页码: 332-340
作者:  She, Xin-Xin;  Dong, Qing;  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu
收藏  |  浏览/下载：49/0  |  提交时间：2019/06/20
Computational insights into the interaction mechanism of triazolyl substituted tetrahydrobenzofuran derivatives with H+,K+-ATPase at different pH 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 卷号: 30, 期号: 1, 页码: 27-37
作者:  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu;  Deng, Wei-Qiao;  Zou, Kun
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role 期刊论文
computational and theoretical chemistry, 2015, 卷号: 1064, 页码: 45-50
作者:  Li, Chaozheng;  Fu, Zhiqiang;  Zhang, Xiaoqian;  Liu, Yufang;  Wang, Yong
收藏  |  浏览/下载：19/0  |  提交时间：2015/11/17
Protonated Form: The Potent Form of Potassium-Competitive Acid Blockers 期刊论文
plos one, 2014, 卷号: 9, 期号: 5, 页码: 97688
作者:  Luo, Hua-Jun;  Deng, Wei-Qiao;  Zou, Kun
收藏  |  浏览/下载：20/0  |  提交时间：2015/11/16
Induced-fit docking and binding free energy calculation on furostanol saponins from Tupistra chinensis as epidermal growth factor receptor inhibitors 期刊论文
medicinal chemistry research, 2013, 卷号: 22, 期号: 10, 页码: 4970-4979
作者:  Luo, Hua-Jun;  Wang, Jun-Zhi;  Deng, Wei-Qiao;  Zou, Kun
收藏  |  浏览/下载：48/0  |  提交时间：2014/09/11
Quantum and molecular dynamics study for binding of macrocyclic inhibitors to human alpha-thrombin 期刊论文
biophysical journal, 2007, 卷号: 92, 期号: 12, 页码: 4244-4253
作者:  Wu, Emilia L.;  Mei, Ye;  Han, Keli;  Zhang, John Z. H.
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/11

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