机构

• 上海药物研究所 [7]
• 西双版纳热带植物园 [1]
• 西北高原生物研究所 [1]
• 大连化学物理研究所 [1]
• 心理研究所 [1]
• 昆明植物研究所 [1]
• 更多

采集方式

• OAI收割 [14]

内容类型

• 期刊论文 [14]

发表日期

• 2023 [2]
• 2018 [1]
• 2017 [1]
• 2014 [2]
• 2013 [1]
• 2011 [2]
• 更多

学科主题

• Biochemist... [1]
• Chemistry,... [1]
• Plant Scie... [1]

筛选

浏览/检索结果: 共14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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8 作者:  Shi, Yulong;  Zhang, Xinben;  Yang, Yanqing;  Cai, Tingting;  Peng, Cheng   |  收藏  |  浏览/下载：45/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   A compounds annotation strategy using targeted molecular networking for offline two-dimensional liquid chromatography-mass spectrometry analysis: Yupingfeng as a case study 期刊论文  OAI收割 JOURNAL OF CHROMATOGRAPHY A, 2023, 卷号: 1702, 页码: 13 作者:  Zhu, Haodong;  He, Liangliang;  Wu, Wenyong;  Duan, Huifang;  Chen, Jiali   |  收藏  |  浏览/下载：48/0  |  提交时间：2023/10/17 Compounds visual annotation  MS2-similarity adjacency matrix  Targeted molecular networking  Offline two-dimensional liquid  chromatography mass spectrometry systems  Yupingfeng   Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4 作者:  Li, Rui;  Du, Yongli;  Gao, Zhipei;  Shen, Jingkang   |  收藏  |  浏览/下载：41/0  |  提交时间：2019/01/08 rheumatoid arthritis (RA)  Broton's tyrosine kinase (BTK)  carbazole carboxamide derivatives  3D-QSAR  comparative molecular field analysis (CoMFA)  comparative molecular similarity indices analysis (CoMSIA)   Developmental Fine-tuning of Human Olfactory Discriminability 期刊论文  OAI收割 CHEMICAL SENSES, 2017, 卷号: 42, 期号: 8, 页码: 655-662 作者:  Zhang, Xiaomeng;  Chen, Wei;  Li, Su;  Zhou, Wen;  Wen Zhou   |  收藏  |  浏览/下载：41/0  |  提交时间：2017/11/22 development  early childhood  molecular similarity  odor discrimination   In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6 作者:  Liu, Xian;  Xu, Yuan;  Li, Shanshan;  Wang, Yulan;  Peng, Jianlong   |  收藏  |  浏览/下载：30/0  |  提交时间：2019/01/08 Target fishing  Big data  Molecular fingerprints  Data fusion  Similarity searching   In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion 期刊论文  OAI收割 Journal of Cheminformatics, 2014, 卷号: 6, 期号: 1 作者:  Liu,Xian;  Xu,Yuan;  Li,Shanshan;  Wang,Yulan;  Peng,Jianlong   |  收藏  |  浏览/下载：2/0  |  提交时间：2023/10/23 Target fishing  Big data  Molecular fingerprints  Data fusion  Similarity searching   Insight into the Structural Requirements of Benzimidazole Derivatives as Interleukin-2 Inducible T-cell Kinase Inhibitors by Computational Explorations 期刊论文  OAI收割 international journal of quantum chemistry, 2013, 卷号: 113, 期号: 21, 页码: 2385-2396 作者:  Wang, Jinghui;  Li, Feng;  Li, Yan;  Yang, Yinfeng;  Wang, Bin 收藏  |  浏览/下载：39/0  |  提交时间：2015/11/09 3D-QSAR  ITK inhibitors  comparative molecular field analysis  comparative molecular similarity indices analysis  molecular dynamics  docking   Molecular docking-based 3D-QSAR studies of pyrrolo[3,4-c]pyrazole derivatives as Aurora-A inhibitors 期刊论文  OAI收割 MOLECULAR SIMULATION, 2011, 卷号: 37, 期号: 1, 页码: 31-42 He, G.; Qiu, M. H.; Li, R.; Song, X. R.; Zheng, X.; Shi, J. Y.; Xu, G. B.; Han, J.; Yu, L. T.; Yang, S. Y.; Chen, L. J.; Wei, Y. Q. 收藏  |  浏览/下载：29/0  |  提交时间：2012/10/12 pyrrolo[3  4-c]pyrazole derivatives  3D-QSAR  molecular docking  CoMFA  CoMSIA  KINASE INHIBITORS  PROTEIN-KINASE  PHARMACOPHORE MODEL  SIMILARITY INDEXES  ANALYSIS COMSIA  POTENT  IDENTIFICATION  BINDING  PROFILE  COMFA   Receptor-based QSAR study for a series of 3,3-disubstituted-5-aryl oxindoles and 6-aryl benzimidazol-2-ones derivatives as progesterone receptor inhibitors 期刊论文  OAI收割 sar and qsar in environmental research, 2011, 卷号: 22, 期号: 7-8, 页码: 775-799 作者:  Wang, J. H.;  Hou, Q. Q.;  Tang, K.;  Cheng, X. L.;  Dong, L. H. 收藏  |  浏览/下载：29/0  |  提交时间：2011/12/14 progesterone receptor  comparative molecular field analysis (CoMFA)  comparative molecular similarity indices analysis (CoMSIA)  inhibitor  QSAR   Three-Dimensional Quantitative Structure-Activity Relationships of flavonoids and estrogen receptors based on docking 期刊论文  OAI收割 CHINESE SCIENCE BULLETIN, 2010, 卷号: 55, 期号: 15, 页码: 1488-1494 作者:  Wu Yang;  Wang Yong;  Zhang AiQian;  Yu HongXia;  Wang LianSheng   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08 flavonoids  ligand-receptor docking  Three-Dimensional Quantitative Structure Activity Relationship (3D-QSAR)  comparative molecular field analysis (CoMFA)  molecular similarity index analysis (CoMSIA)