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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
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：23/0  |  提交时间：2023/10/17
Discovery of 4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carboxamide derivatives as PI3K alpha inhibitors via virtual screening and docking-based structure optimization 期刊论文  OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 86, 页码: 15
作者:  Gu, Dongyan;  Zhang, Mengmeng;  Cai, Lvtao;  Wang, Chang;  Zhou, Yu -Bo
  |  收藏  |  浏览/下载：7/0  |  提交时间：2023/10/17
In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing 期刊论文  OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 3265-3276
作者:  Zhao, Wenfeng;  Xiong, Muya;  Yuan, Xiaojing;  Li, Minjun;  Sun, Hongbin
  |  收藏  |  浏览/下载：40/0  |  提交时间：2020/12/24
Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7 期刊论文  OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2020, 卷号: 28, 期号: 7, 页码: 10
作者:  Min, Wenjian;  Hou, Zeng;  Zhang, Fang;  Xie, Shengnan;  Yuan, Kai
  |  收藏  |  浏览/下载：13/0  |  提交时间：2020/07/01
Identification of small molecule inhibitors targeting the SMARCA2 bromodomain from a high-throughput screening assay 期刊论文  OAI收割
ACTA PHARMACOLOGICA SINICA, 2018, 卷号: 39, 期号: 9, 页码: 1544-1552
作者:  Lu, Tian;  Hu, Jun-chi;  Lu, Wen-chao;  Han, Jie;  Ding, Hong
  |  收藏  |  浏览/下载：33/0  |  提交时间：2019/01/08
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：50/0  |  提交时间：2019/01/08
Inhibitory efficacy of bufadienolides on Na,K-pump activity versus cell proliferation 期刊论文  OAI收割
Biochemistry and biophysics reports, 2016, 卷号: 6, 页码: 158-164
作者:  Xu, Yinfang;  Liu, Xuan;  Schwarz, Silvia;  Hu, Lihong;  Guo, Dean
  |  收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors 期刊论文  OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 卷号: 55, 期号: 9, 页码: 1994-2004
作者:  Zhang, Yu;  Xu, Lei;  Zhang, Zhiqiang;  Zhang, Zhiyu;  Zheng, Longtai
  |  收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08
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;  Sheng, Yayun;  Chen, Yingjie;  Wan, Ping
  |  收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08