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上海药物研究所 [6]
大连理工大学 [2]
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中国医学科学院 北京... [2]
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期刊论文 [20]
发表日期
2019 [20]
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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:34/0
  |  
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:260/0
  |  
提交时间:2019/06/24
Androgen receptor
AR ligand
Virtual screening
AR agonist
AR antagonist
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods
期刊论文
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:
Wang, Dingyan
;
Cui, Chen
;
Ding, Xiaoyu
;
Xiong, Zhaoping
;
Zheng, Mingyue
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2020/07/01
virtual screening
target-specific scoring function
deep learning
drug discovery
DUD-E
Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906
作者:
Li, Yaping
;
Wu, Dong-mei
;
Kong, Ling-mei
;
Zhang, Shuqun
;
Du, Haibo
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/03/26
bioassay
ensemble docking
scoring function
virtual screening
Wee1 inhibitors
Discovery of New Selective Butyrylcholinesterase (BChE) Inhibitors with Anti-A beta Aggregation Activity: Structure-Based Virtual Screening, Hit Optimization and Biological Evaluation
期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 14, 页码: 21
作者:
Jiang, Cheng-Shi
;
Ge, Yong-Xi
;
Cheng, Zhi-Qiang
;
Wang, Yin-Yin
;
Tao, Hong-Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/07/01
selective BChE inhibitor
virtual screening
structural optimization
molecular dynamics
anti-A beta aggregation
Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family
期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17
作者:
Li, Fei
;
Wan, Xiaozhe
;
Xing, Jing
;
Tan, Xiaoqin
;
Li, Xutong
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/07/01
deep neural network
virtual screening
methyltransferase
epigenetic
drug design
Discovery of alkoxy benzamide derivatives as novel BPTF bromodomain inhibitors via structure-based virtual screening
期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 86, 页码: 494-500
作者:
Zhang, Dan
;
Han, Jie
;
Lu, Wenchao
;
Lian, Fulin
;
Wang, Jun
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
Lysine acetylation
Bromodomain
Virtual screening
BPTF inhibitor
Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816
作者:
Wang, Dong
;
Li, Zhaoyang
;
Liu, Yi
;
Chen, Mo
;
Chen, Nianhang
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/09/10
BRS-3D
monoamine oxidase selective inhibitors
virtual screening
Discovery of Novel PRMT5 Inhibitors by Virtual Screening and Biological Evaluations
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2019, 卷号: 67, 期号: 4, 页码: 382-388
作者:
Tao, Hongrui
;
Yan, Xue
;
Zhu, Kongkai
;
Zhang, Hua
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/07/01
virtual screening
epigenetic inhibitor
antiproliferation
molecular docking
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase.
期刊论文
Current computer-aided drug design, 2019
作者:
Qiu Kai-Xiong
;
Zhang Wen
;
Yu Fang
;
Li Wei
;
Sun Zhong-Wen
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/04
B-RafV600E Kinase
Type ⅡB Inhibitors
Virtual Screening
Pharmacophore Modelling
Molecular Docking
3D-QSAR
Binding Free Energy Calculation
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