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Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 卷号: 73, 页码: 134-149
作者:  Yan, Chunli;  Xiu, Zhilong;  Li, Xiaohui;  Li, Shenmin;  Hao, Ce
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/27
Molecular modeling of a hexacyclopeptide dichotomin B based on B3LYP, HF and ONIOM methods: Comparison with dichotomin A 会议论文
2nd International Conference on Bioinformatics and Biomedical Engineering, iCBBE 2008, Shanghai, China, 2008-05-16
作者:  Liu, Xiaoqing;  Yan, Chunli;  Teng, Hu;  Li, Xiaohui;  Xiu, Zhilong
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/27
Theoretical study for quercetin/beta-cyclodextrin complexes: quantum chemical calculations based on the PM3 and ONIOM12 method 期刊论文
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2007, 卷号: 58, 页码: 337-344
作者:  Yan, Chunli;  Xiu, Zhilong;  Li, Xiaohui;  Teng, Hu;  Hao, Ce
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/27


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