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科研机构
山东大学 [18]
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期刊论文 [18]
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2019 [2]
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专题:山东大学
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An Improved Protocol for the Virtual Screening Discovery of Novel Histone Deacetylase Inhibitors
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2019, 卷号: 67, 期号: 10, 页码: 1076-1081
作者:
Song, Qiuhang
;
Liu, Tingting
;
Liu, Yucui
;
Wang, Shuyue
;
Fan, Cong
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/11
histone deacetylase inhibitor
pharmacophore
docking
molecular dynamic
simulation
ovarian cancer
Identification of novel and potent small-molecule inhibitors of tubulin with antitumor activities by virtual screening and biological evaluations
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 7, 页码: 659-664
作者:
Liu, Guangpu
;
Jiao, Yang
;
Huang, Chunxi
;
Chang, Ping
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Microtubules inhibitors
Anticancer target
Colchicine binding site
Drug discovery
Molecular docking
Computational Strategy for Bound State Structure Prediction in Structure-Based Virtual Screening: A Case Study of Protein Tyrosine Phosphatase Receptor Type O Inhibitors
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 11, 页码: 2331-2342
作者:
Hou, Xuben
;
Rooklin, David
;
Yang, Duxiao
;
Liang, Xiao
;
Li, Kangshuai
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/11
Virtual Screening and Biomolecular Interactions of CviR-Based Quorum Sensing Inhibitors Against Chromobacterium violaceum
期刊论文
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2018, 卷号: 8, 期号: SEP
作者:
Ravichandran, Vinothkannan
;
Zhong, Lin
;
Wang, Hailong
;
Yu, Guangle
;
Zhang, Youming
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/12/11
Chromobacterium violaceum
quorum sensing
quorum sensing inhibition
virtual screening
biofilm inhibition and microscale thermophoresis
Structure-based virtual screening and ADME/T-based prediction analysis for the discovery of novel antifungal CYP51 inhibitors
期刊论文
MEDCHEMCOMM, 2018, 卷号: 9, 期号: 7, 页码: 1178-1187
作者:
Sun, Bin
;
Zhang, Hong
;
Liu, Min
;
Hou, Zhuang
;
Liu, Xinyong
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/11
Identification of AI-2 quorum sensing inhibitors in vibrio harveyi through structure-based virtual screening
期刊论文
Methods in Molecular Biology, 2018, 卷号: 1673, 页码: 353-362
作者:
Jiang, Tianyu
;
Zhu, Peng
;
Du, Lupei
;
Li, Minyong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
AI-2
LuxPQ
Quorum sensing inhibitors
Vibrio harveyi
Virtual screening
Potent, Selective, and Cell Active Protein Arginine Methyltransferase 5 (PRMT5) Inhibitor Developed by Structure-Based Virtual Screening and Hit Optimization
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 14, 页码: 6289-6304
作者:
Mao, Ruifeng
;
Shao, Jingwei
;
Zhu, Kongkai
;
Zhang, Yuanyuan
;
Ding, Hong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/12
Computer-aided design of carbon nanotubes with the desired bioactivity and safety profiles
期刊论文
NANOTOXICOLOGY, 2016, 卷号: 10, 期号: 3, 页码: 374-383
作者:
Fourches, Denis
;
Pu, Dongqiuye
;
Li, Liwen
;
Zhou, Hongyu
;
Mu, Qingxin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/16
Carbon nanotubes
cheminformatics
nanotoxicity
QSAR
virtual screening
Protein Flexibility in Docking-Based Virtual Screening: Discovery of Novel Lymphoid-Specific Tyrosine Phosphatase Inhibitors Using Multiple Crystal Structures
期刊论文
Journal of chemical information and modeling, 2015, 卷号: 55, 期号: 9, 页码: 1973-1983
作者:
Hou, Xuben
;
Li, Kangshuai
;
Yu, Xiao
;
Sun, Jin-Peng
;
Fang, Hao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/17
Enhancing the Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Customized ZBG Features: A Case Study Using Histone Deacetylase 8
期刊论文
Journal of chemical information and modeling, 2015, 卷号: 55, 期号: 4, 页码: 861-871
作者:
Hou, Xuben
;
Du, Jintong
;
Liu, Renshuai
;
Zhou, Yi
;
Li, Minyong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/17
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