机构

• 大连化学物理研究所 [9]
• 上海药物研究所 [7]
• 昆明植物研究所 [2]
• 过程工程研究所 [2]
• 上海有机化学研究所 [2]
• 武汉岩土力学研究所 [2]
• 更多

采集方式

• OAI收割 [26]

内容类型

• 期刊论文 [26]

发表日期

• 2023 [1]
• 2022 [1]
• 2019 [1]
• 2014 [2]
• 2013 [5]
• 2012 [3]
• 更多

学科主题

• 物理化学 [3]
• 计算机化学与化学信息... [2]
• Biochemist... [1]
• Chemistry [1]
• Chemistry,... [1]
• Chemistry,... [1]
• 更多

筛选

浏览/检索结果: 共26条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Predicting the retention time of Synthetic Cannabinoids using a combinatorial QSAR approach 期刊论文  OAI收割 HELIYON, 2023, 卷号: 9, 期号: 6, 页码: 9 作者:  Wu, Lina;  Xiao, Fu;  Luo, Xiaomin;  Yun, Keming;  Wen, Di   |  收藏  |  浏览/下载：15/0  |  提交时间：2023/10/17 Synthetic cannabinoids  Retention time  Machine learning  QSAR   Selective lead (II) sorption using aminophosphonate-based sorbents: Effect of amine linker, characterization and sorption performance 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 442, 页码: 17 作者:  Neiber, Rana R.;  Galhoum, Ahmed A.   |  收藏  |  浏览/下载：12/0  |  提交时间：2023/02/24 Lead ions  Aminophosphonates  Sorption isotherms and uptake kinetics  Metal desorption and sorbent recycling  Thermodynamics  Water decontamination   Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15 作者:  Shi, Danfeng;  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Zhou, Shuangyan   |  收藏  |  浏览/下载：7/0  |  提交时间：2022/01/19 PD-L1  small-molecule inhibitors  molecular dynamics simulation  metadynamics simulation  R-group QSAR   Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists 期刊论文  OAI收割 biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22 作者:  Zhang, Lihui;  Liu, Tianjun;  Wang, Xia;  Wang, Jinan;  Li, Guohui 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16 Pyrimidine derivatives  Human A(2A) adenosine receptor  Molecular docking  Molecular dynamics  Thermodynamic analysis  3D-QSAR   Quantum chemical and molecular dynamics studies of imidazoline derivatives as corrosion inhibitor and quantitative structure-activity relationship (QSAR) analysis using the support vector machine (SVM) method 期刊论文  OAI收割 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2014, 卷号: 13, 期号: 2, 页码: - 作者:  Han LaiLi;  Du, Lei;  Zhao, Hongxia;  Hu, Haixiang;  Zhang, Xiuhui   |  收藏  |  浏览/下载：21/0  |  提交时间：2018/06/05 Imidazoline  weight-loss method  quantum chemical calculation  molecular dynamics simulation  quantitative structure-activity relationship   Structural Feature Studies on Spiropiperidine Analogues as Agonists of Delta Opioid Receptors 期刊论文  OAI收割 progress in biochemistry and biophysics, 2013, 卷号: 40, 期号: 7, 页码: 668-677 作者:  Gao Wei-Min;  Li Yan;  Zhang Shu-Wei;  Yang Ling 收藏  |  浏览/下载：21/0  |  提交时间：2015/11/09 N-substituted spiropiperidine analogues  DOR agonist  3D-QSAR  CoMFA  CoMSIA   Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis 期刊论文  OAI收割 molecular biosystems, 2013, 卷号: 9, 期号: 3, 页码: 386-397 作者:  Wu, Qian;  Gao, Qingping;  Guo, Huanmei;  Li, Dan;  Wang, Jinghui 收藏  |  浏览/下载：23/0  |  提交时间：2015/11/09 An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors 期刊论文  OAI收割 molecular biosystems, 2013, 卷号: 9, 期号: 9, 页码: 2266-2281 作者:  Li, Yan;  Gao, Weimin;  Li, Feng;  Wang, Jinghui;  Zhang, Jingxiao 收藏  |  浏览/下载：28/0  |  提交时间：2015/11/09 Structure determinants of indolin-2-on-3-spirothiazolidinones as MptpB inhibitors: An in silico study 期刊论文  OAI收割 soft matter, 2013, 卷号: 9, 期号: 46, 页码: 11054-11077 作者:  Yang, Yinfeng;  Wang, Jinghui;  Li, Yan;  Xiao, Wei;  Wang, Zhenzhong 收藏  |  浏览/下载：17/0  |  提交时间：2015/11/09 Experimental, Quantum Chemical and Molecular Dynamics Studies of Imidazoline Molecules Against the Corrosion of Steel and Quantitative Structure-Activity Relationship Analysis Using the Support Vector Machine (SVM) Method 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2013, 卷号: 8, 期号: 9, 页码: 11228-11247 作者:  Hu, Haixiang;  Du, Lei;  Li, Xiaochun;  Zhao, Hongxia;  Zhang, Xiuhui   |  收藏  |  浏览/下载：18/0  |  提交时间：2018/06/05 imidazoline molecules  weight-loss method  DFT  molecular dynamics simulation  QSAR