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上海药物研究所 [18]
大连化学物理研究所 [7]
昆明植物研究所 [6]
生态环境研究中心 [6]
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期刊论文 [73]
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2019 [73]
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Chemistry ... [1]
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发表日期:2019
内容类型:期刊论文
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Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:
Zou, Yi
;
Hu, Yue
;
Ge, Shushan
;
Zheng, Yingbo
;
Li, Yuezhen
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2020/07/01
IDO1
Heme
T cell
Cancer immunotherapy
Virtual screening
Drug design
Molecular dynamics simulation
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427
作者:
Hou, Tingjun
;
Li, Dan
;
Chang, Shan
;
Xu, Lei
;
Sun, Huiyong
收藏
  |  
浏览/下载:267/0
  |  
提交时间:2019/06/24
Androgen receptor
AR ligand
Virtual screening
AR agonist
AR antagonist
AZD9291 inactivates the PRC2 complex to mediate tumor growth inhibition
期刊论文
ACTA PHARMACOLOGICA SINICA, 2019, 卷号: 40, 期号: 12, 页码: 1587-1595
作者:
Zhang, Kai-li
;
Shen, Qian-qian
;
Fang, Yan-fen
;
Sun, Yi-ming
;
Ding, Jian
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/07/01
PRC2
EZH2-EED
AZD9291
miR-34a
non-canonical base pairing
A comprehensive study of pomegranate flowers polyphenols and metabolites in rat biological samples by high-performance liquid chromatography quadrupole time-of-flight mass spectrometry
期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2019, 卷号: 1604, 页码: 13
作者:
Yisimayili, Zainaipuguli
;
Abdulla, Rahima
;
Tian, Qiang
;
Wang, Yangyang
;
Chen, Mingcang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
Punica granatum L. flowers
Polyphenols
Ellagitannin
Metabolism
HPLC-Q-TOF-MS2
DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 17, 期号: 5, 页码: 478-495
作者:
Wan, Fangping
;
Zhu, Yue
;
Hu, Hailin
;
Dai, Antao
;
Cai, Xiaoqing
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/07/01
Deep learning
Machine learning
Drug discovery
In silico drug screening
Compound-protein interaction prediction
Orthogonal assays for the identification of inhibitors of the single-stranded nucleic acid binding protein YB-1
期刊论文
ACTA PHARMACEUTICA SINICA B, 2019, 卷号: 9, 期号: 5, 页码: 997-1007
作者:
Trevarton, Alexander J.
;
Zhou, Yan
;
Yang, Dehua
;
Rewcastle, Gordon W.
;
Flanagan, Jack U.
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  |  
浏览/下载:10/0
  |  
提交时间:2020/07/01
Cancer
YB-1
Luciferase
AlphaScreen
Transcription factor
Single-stranded DNA
Prim-O-glucosylcimifugin enhances the antitumour effect of PD-1 inhibition by targeting myeloid-derived suppressor cells
期刊论文
JOURNAL FOR IMMUNOTHERAPY OF CANCER, 2019, 卷号: 7, 期号: 1, 页码: 15
作者:
Gao, Wanfeng
;
Zhang, Xiaoyun
;
Yang, Wendong
;
Dou, Daolei
;
Zhang, Heng
收藏
  |  
浏览/下载:75/0
  |  
提交时间:2020/01/10
Prim-O-glucosylcimifugin
Myeloid-derived suppressor cells
Proliferation
Metabolism
PD-1 inhibitor
Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 16, 页码: 7473-7488
作者:
Wang, Yulan
;
Dai, Yang
;
Wu, Xiaowei
;
Li, Fei
;
Liu, Bo
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/07/01
Predictive deep learning models for environmental properties: the direct calculation of octanol-water partition coefficients from molecular graphs
期刊论文
GREEN CHEMISTRY, 2019, 卷号: 21, 期号: 16, 页码: 4555-4565
作者:
Wang, Zihao
;
Su, Yang
;
Shen, Weifeng
;
Jin, Saimeng
;
Clark, James H.
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2019/10/18
Suspect screening analysis of the occurrence and removal of micropollutants by GC-QTOF MS during wastewater treatment processes
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2019, 卷号: 376, 页码: 153-159
作者:
Wang, Yingjun
;
Gao, Wei
;
Wang, Yawei
;
Jiang, Guibin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/09/10
Suspect screening
Wastewater treatment
Micropollutants
Transformation products
Occurrence and removal
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