机构

• 上海药物研究所 [6]
• 昆明植物研究所 [1]

采集方式

• OAI收割 [7]

内容类型

• 期刊论文 [7]

发表日期

• 2023 [2]
• 2021 [1]
• 2018 [1]
• 2015 [1]
• 2014 [1]
• 2010 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共7条，第1-7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发表日期升序发表日期降序题名升序题名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：21/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 6, 页码: 2559-2571 作者:  Zhang, Yanqiong;  Li, Xin;  Shi, Yulong;  Chen, Tong;  Xu, Zhijian   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17 Traditional Chinese medicine  Database  Target identification  Network visualization  New drug research and development  Molecular mechanism  Quality marker  Drug repurposing   Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405 作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang   |  收藏  |  浏览/下载：13/0  |  提交时间：2022/04/02 mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation   Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search 期刊论文  OAI收割 MOLECULES, 2018, 卷号: 23, 期号: 3 作者:  Ding, Hong;  Lu, Wen Chao;  Hu, Jun Chi;  Liu, Yu-Chih;  Zhang, Chen Hua   |  收藏  |  浏览/下载：49/0  |  提交时间：2019/01/08 SET7  inhibitor  similarity search  ligand-based drug design  chemical biology probe   Discovery of New Non-Steroidal Farnesoid X Receptor Modulators Through 3D Shape Similarity Search and Structure-Based Virtual Screening 期刊论文  OAI收割 CHEMICAL BIOLOGY & DRUG DESIGN, 2015, 卷号: 85, 期号: 4, 页码: 481-487 作者:  Wang, Lei;  Si, Pei   |  收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08 farnesoid X receptor  modulators  similarity search  virtual screening   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：15/0  |  提交时间：2019/01/08 Target fishing  Big data  Molecular fingerprints  Data fusion  Similarity searching   Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2010, 卷号: 50, 期号: 4, 页码: 615-625 作者:  Chen, Zhi;  Tian, Guanghui;  Wang, Zhen;  Jiang, Hualiang;  Shen, Jingshan   |  收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08