CORC

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CORC

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SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 卷号: 34, 期号: 5, 页码: 589-600
作者:  Sun, Zhaoxi;  He, Qiaole;  Li, Xiao;  Zhu, Zhengdan
收藏  |  浏览/下载：28/0  |  提交时间：2020/07/01
2Ch-2N square and hexagon interactions: a combined crystallographic data analysis and computational study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 38, 页码: 21568-21576
作者:  Lu, Yunxiang;  Li, Wenxia;  Yang, Weiwei;  Zhu, Zhengdan;  Xu, Zhijian
收藏  |  浏览/下载：7/0  |  提交时间：2020/07/01
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 27, 页码: 15106-15119
作者:  Zhu, Zhengdan;  Wang, Guimin;  Xu, Zhijian;  Chen, Zhaoqiang;  Wang, Jinan
收藏  |  浏览/下载：35/0  |  提交时间：2020/07/01
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:  Su, He;  Wu, Han;  Wang, Hui;  Wang, Hongyan;  Ni, Yuxiang
收藏  |  浏览/下载：8/0  |  提交时间：2020/07/01
Structural evolution of LiNn+ (n=2, 4, 6, 8, and 10) clusters: mass spectrometry and theoretical calculations 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 12, 页码: 6762-6769
作者:  Ge, Zhongxue;  Ding, Kewei;  Li, Yisu;  Xu, Hongguang;  Chen, Zhaoqiang
收藏  |  浏览/下载：13/0  |  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
Inhibiting mechanism of small molecule toward the p53-MDM2 interaction: A molecular dynamic exploration 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2018, 卷号: 92, 期号: 4, 页码: 1763-1777
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Zhu, Weiliang
收藏  |  浏览/下载：40/0  |  提交时间：2019/01/08
A binding-block ion selective mechanism revealed by a Na/K selective channel 期刊论文
PROTEIN & CELL, 2018, 卷号: 9, 期号: 7, 页码: 629-639
作者:  Yu, Jie;  Zhang, Bing;  Zhang, Yixiao;  Xu, Cong-qiao;  Zhuo, Wei
收藏  |  浏览/下载：35/0  |  提交时间：2019/01/08
Mass Spectrometry and Theoretical Investigation of VNn+ (n=8, 9, and 10) Clusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 20, 页码: 4687-4695
作者:  Ding, Kewei;  Xu, Hongguang;  Yang, Yang;  Li, Taoqi;  Chen, Zhaoqiang
收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08
Ion-pair recognition based on halogen bonding: a case of the crown-ether receptor with iodo-trizole moiety 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 2, 页码: 533-540
作者:  Zhou, Li;  Lu, Yunxiang;  Xu, Zhijian;  Peng, Changjun;  Liu, Honglai
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08

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