机构

• 上海药物研究所 [15]
• 新疆理化技术研究所 [1]

采集方式

• OAI收割 [16]

内容类型

• 期刊论文 [16]

发表日期

• 2015 [3]
• 2014 [4]
• 2013 [5]
• 2012 [4]

学科主题

筛选

浏览/检索结果: 共16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 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：22/0  |  提交时间：2019/01/08 A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 6 作者:  Yang, Zhuo;  Liu, Yingtao;  Chen, Zhaoqiang;  Xu, Zhijian;  Shi, Jiye   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 Halogen bonding  sigma-hole  Protein-ligand interaction  Quantum mechanics  Scoring function   Linear and nonlinear optical properties of aluminum borate crystal Al5BO9: Experiment and calculation 期刊论文  OAI收割 JOURNAL OF MATERIALS RESEARCH, 2015, 卷号: 30, 期号: 15, 页码: 2319-2326 作者:  An, DH (An, Donghai);  Zhang, M (Zhang, Min);  Li, DN (Li, Danni);  Pan, SL (Pan, Shilie);  Chen, HM (Chen, Huimin)   |  收藏  |  浏览/下载：20/0  |  提交时间：2018/01/25 Unstable, Metastable, or Stable Halogen Bonding Interaction Involving Negatively Charged Donors? A Statistical and Computational Chemistry Study 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 49, 页码: 14223-14233 作者:  Yang, Zhuo;  Xu, Zhijian;  Liu, Yingtao;  Wang, Jinan;  Shi, Jiye   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08 Structures and Electronic Properties of Transition Metal-Containing Ionic Liquids: Insights from Ion Pairs 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 13, 页码: 2508-2518 作者:     |  收藏  |  浏览/下载：29/0  |  提交时间：2019/01/08 Exploring Transition Pathway and Free-Energy Profile of Large-Scale Protein Conformational Change by Combining Normal Mode Analysis and Umbrella Sampling Molecular Dynamics 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 1, 页码: 134-143 作者:  Wang, Jinan;  Shao, Qiang;  Xu, Zhijian;  Liu, Yingtao;  Yang, Zhuo   |  收藏  |  浏览/下载：27/0  |  提交时间：2019/01/08 Halogen Bond: Its Role beyond Drug-Target Binding Affinity for Drug Discovery and Development 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 1, 页码: 69-78 作者:  Xu, Zhijian;  Yang, Zhuo;  Liu, Yingtao;  Lu, Yunxiang;  Chen, Kaixian   |  收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08 A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11, 页码: 5015-5030 作者:  Liu, Yingtao;  Xu, Zhijian;  Yang, Zhuo;  Chen, Kaixian;  Zhu, Weiliang   |  收藏  |  浏览/下载：25/0  |  提交时间：2019/01/08 Halogen bonding  Knowledge-based scoring function  Potential of mean forces  Protein-ligand interaction  sigma-hole   Weak energetic effects between X-pi and X-N halogen bonds: CSD search and theoretical study 期刊论文  OAI收割 CHEMICAL PHYSICS LETTERS, 2013, 卷号: 582, 页码: 49-55 作者:  Wu, Weihong;  Lu, Yunxiang;  Liu, Yingtao;  Li, Haiying;  Peng, Changjun   |  收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08 Key Targets and Relevant Inhibitors for the Drug Discovery of Tuberculosis 期刊论文  OAI收割 CURRENT DRUG TARGETS, 2013, 卷号: 14, 期号: 6, 页码: 676-699 作者:  Xiong, Xiuming;  Xu, Zhijian;  Yang, Zhuo;  Liu, Yingtao;  Wang, Di   |  收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08 Antimycobacterial  dormant  drug-resistant  inhibitors  Mycobacterium tuberculosis  new targets