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上海药物研究所 [12]
北京大学 [5]
中国医学科学院 北京... [5]
复旦大学上海医学院 [4]
大连理工大学 [2]
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期刊论文 [36]
发表日期
2013 [36]
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Biochemist... [2]
Chemistry,... [1]
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发表日期:2013
内容类型:期刊论文
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Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 12, 页码: 3202-3211
作者:
Xu, Lili
;
Zhou, Shanglin
;
Yu, Kunqian
;
Gao, Bo
;
Jiang, Hualiang
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/01/08
Identification of Novel Small Molecules as Inhibitors of Hepatitis C Virus by Structure-Based Virtual Screening
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 22845-22856
作者:
Li, Jing
;
Liu, Xian
;
Li, Shanshan
;
Wang, Yulan
;
Zhou, Nannan
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
hepatitis C virus (HCV)
NS3
NS4A serine protease
structure-based drug design (SBDD)
virtual screening
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions
期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11, 页码: 5015-5030
作者:
Liu, Yingtao
;
Xu, Zhijian
;
Yang, Zhuo
;
Chen, Kaixian
;
Zhu, Weiliang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
Halogen bonding
Knowledge-based scoring function
Potential of mean forces
Protein-ligand interaction
sigma-hole
The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands
期刊论文
CELL RESEARCH, 2013, 卷号: 23, 期号: 9, 页码: 1106-1118
作者:
Li, Ping
;
Chen, Zhuxi
;
Xu, Haiyan
;
Sun, Haifeng
;
Li, Hao
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
voltage-gated potassium channel
gating charge pathway
KCNQ2 activator
binding site
anti-epilepsy drug
Microsecond molecular dynamics simulation of A beta(42) and identification of a novel dual inhibitor of A beta(42) aggregation and BACE1 activity
期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 9, 页码: 1243-1250
作者:
Wang, Yuan-yuan
;
Li, Li
;
Chen, Tian-tian
;
Chen, Wu-yan
;
Xu, Ye-chun
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
amyloid beta-peptide (A beta)
beta-secretase
Alzheimer's disease (AD)
dual inhibitor
structure-based virtual screening
molecular dynamics (MD) simulation
Discovery of natural estrogen receptor modulators with structure-based virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 11, 页码: 3329-3333
作者:
Cao, Xianwen
;
Jiang, Jing
;
Zhang, Shoude
;
Zhu, Lili
;
Zou, Juan
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2013/07/24
Molecular docking
Natural product
Estrogen receptor
Virtual screening
Virtual Screening and Structure-Based Discovery of Indole Acylguanidines as Potent beta-secretase (BACE1) Inhibitors
期刊论文
MOLECULES, 2013, 卷号: 18, 期号: 5, 页码: 5706-5722
作者:
Zou, Yiquan
;
Li, Li
;
Chen, Wuyan
;
Chen, Tiantian
;
Ma, Lanping
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
virtual screening
docking
structure-based lead design
crystal structure
indole acylguanidine
Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 8, 页码: 2306-2312
作者:
Xie, Yunfeng
;
Chen, Xianjie
;
Qin, Jie
;
Kong, Xiangqian
;
Ye, Fei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/01/08
BRAF
Kinase inhibitors
Virtual screening
Anticancer agents
Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2013, 卷号: 62, 页码: 301-310
作者:
Zhang, Mingming
;
Zhu, Weiliang
;
Li, Yingxia
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/01/08
STAT3 signaling
Small-molecule inhibitors
Virtual screening
Cell viability
Antitumor activity
Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 7, 页码: 2225-2229
作者:
Zhang, Mingming
;
Zhu, Weiliang
;
Ding, Ning
;
Zhang, Wei
;
Li, Yingxia
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/01/08
STAT3 signaling
Small-molecule inhibitors
Virtual screening
Cell viability
Antitumor activity
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