机构

• 上海药物研究所 [7]
• 地质与地球物理研究所 [2]
• 中国科学院大学 [1]

采集方式

• OAI收割 [9]
• iSwitch采集 [1]

内容类型

• 期刊论文 [10]

发表日期

• 2020 [2]
• 2019 [2]
• 2016 [3]
• 2015 [1]
• 2009 [2]

学科主题

筛选

浏览/检索结果: 共10条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang   |  收藏  |  浏览/下载：23/0  |  提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD)  binding affinity  HIV-1 protease  semi-empirical quantum mechanics   Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文  OAI收割 BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018 作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian   |  收藏  |  浏览/下载：22/0  |  提交时间：2020/07/01 Proteomics identifies new therapeutic targets of early-stage hepatocellular carcinoma 期刊论文  OAI收割 NATURE, 2019, 卷号: 567, 期号: 7747, 页码: 257-+ 作者:  Jiang, Ying;  Sun, Aihua;  Zhao, Yang;  Ying, Wantao;  Sun, Huichuan   |  收藏  |  浏览/下载：88/0  |  提交时间：2020/07/01 Improving the accuracy of predicting protein-ligand binding-free energy with semiempirical quantum chemistry charge 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 4, 页码: 303-321 作者:  Peng, Cheng;  Wang, Jinan;  Yu, Yuqi;  Wang, Guimin;  Chen, Zhaoqiang   |  收藏  |  浏览/下载：21/0  |  提交时间：2020/07/01 atomic charge  binding-free energy  electrostatic polarization  semiempirical quantum mechanics  solvated interaction energy   How do distance and solvent affect halogen bonding involving negatively charged donors? 期刊论文  iSwitch采集 Journal of physical chemistry b, 2016, 卷号: 120, 期号: 34, 页码: 8784-8793 作者:  Chen, Zhaoqiang;  Wang, Guimin;  Xu, Zhijian;  Wang, Jinan;  Yu, Yuqi 收藏  |  浏览/下载：53/0  |  提交时间：2019/05/09 How Do Distance and Solvent Affect Halogen Bonding Involving Negatively Charged Donors? 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 8784-8793 作者:  Chen, Zhaoqiang;  Wang, Guimin;  Xu, Zhijian;  Wang, Jinan;  Yu, Yuqi   |  收藏  |  浏览/下载：30/0  |  提交时间：2019/01/08 Stability and Characteristics of the Halogen Bonding Interaction in an Anion-Anion Complex: A Computational Chemistry Study 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 4, 页码: 610-620 作者:  Wang, Guimin;  Chen, Zhaoqiang;  Xu, Zhijian;  Wang, Jinan;  Yang, Yang   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design? 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 36, 页码: 11988-11997 作者:  Yang, Yang;  Xu, Zhijian;  Zhang, Zhengyan;  Yang, Zhuo;  Liu, Yingtao   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08 P wave velocity structure of upper and middle crust beneath the Three Gorges reservoir dam and adjacent regions 期刊论文  OAI收割 SCIENCE IN CHINA SERIES D-EARTH SCIENCES, 2009, 卷号: 52, 期号: 4, 页码: 567-578 作者:  Li Qiang;  Zhao Xu;  Cai JinAn;  Liu RuiFeng;  Long GuiHua   |  收藏  |  浏览/下载：21/0  |  提交时间：2018/09/26 Three Gorges reservoir  upper and middle crust  three-dimensional velocity structure   P wave velocity structure of upper and middle crust beneath the Three Gorges reservoir dam and adjacent regions 期刊论文  OAI收割 SCIENCE IN CHINA SERIES D-EARTH SCIENCES, 2009, 卷号: 52, 期号: 4, 页码: 567-578 作者:  Li Qiang;  Zhao Xu;  Cai JinAn;  Liu RuiFeng;  Long GuiHua   |  收藏  |  浏览/下载：19/0  |  提交时间：2018/09/26 Three Gorges reservoir  upper and middle crust  three-dimensional velocity structure