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山东大学 [12]
上海药物研究所 [5]
兰州大学 [4]
华中师范大学 [4]
西安交通大学 [3]
大连理工大学 [3]
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期刊论文 [62]
会议论文 [3]
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2016 [66]
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chemistry [2]
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Chlorination by-products of bisphenol A enhanced retinoid X receptor disrupting effects
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2016, 卷号: 320, 期号: 0, 页码: 289-295
作者:
Li, Na
;
Jiang, Weiwei
;
Ma, Mei
;
Wang, Donghong
;
Wang, Zijian
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2017/04/01
Retinoid x Receptor
Bisphenol a
Chlorinated Byproducts
Teq
Molecular Docking
The neurotoxicity of DE-71: effects on neural development and impairment of serotonergic signaling in zebrafish larvae
期刊论文
JOURNAL OF APPLIED TOXICOLOGY, 2016, 卷号: 36, 期号: 12, 页码: 1605-1613
作者:
Wang, Xianfeng
;
Yang, Lihua
;
Wang, Qiangwei
;
Guo, Yongyong
;
Li, Na
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/11/13
PBDEs
zebrafish larvae
neural development
serotonergic system
molecular docking
The neurotoxicity of DE-71: effects on neural development and impairment of serotonergic signaling in zebrafish larvae
期刊论文
JOURNAL OF APPLIED TOXICOLOGY, 2016, 卷号: 36, 期号: 12, 页码: 1605-1613
作者:
Wang, Xianfeng
;
Yang, Lihua
;
Wang, Qiangwei
;
Guo, Yongyong
;
Li, Na
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2017/03/29
PBDEs
zebrafish larvae
neural development
serotonergic system
molecular docking
Interaction of hypericin with guanine-rich DNA: Preferential binding to parallel G-Quadruplexes
期刊论文
DYES AND PIGMENTS, 2016, 卷号: 132, 页码: 405-411
作者:
Zhang, Xin
;
Jin, Bing
;
Zheng, Wei
;
Zhang, Nan
;
Liu, Xiangjun
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/01/11
Hypericin
G-Quadruplexes
DNA
Binding model
Molecular docking
Molecular docking for drug discovery and development: a widely used approach but far from perfect
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:
Wang, Guimin
;
Zhu, Weiliang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
covalent binding
free energy
molecular docking
scoring function
solvent molecule
structural flexibility
thermodynamics and kinetics
3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2016, 卷号: 1117, 页码: 227-239
作者:
Li, WL
;
Si, HZ
;
Li, Y
;
Ge, CZ
;
Song, FC
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/01/12
Hepatitis C virus (HCV)
NS5B polymerase inhibitors
QSAR
COMSIA
Molecular docking
Insights into mechanism of pyrido[2,3-d]pyrimidines as DYRK1A inhibitors based on molecular dynamic simulations
期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 8, 页码: 1108-1123
作者:
Li, JJ
;
Tian, YL
;
Zhai, HL
;
Lv, M
;
Zhang, XY
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/12
DYRK1A
binding mechanism
molecular docking
molecular dynamics
molecular design
Design, synthesis and biological evaluation of pyrazol-furan carboxamide analogues as novel Akt kinase inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 117, 页码: 47-58
作者:
Zhan, Wenhu
;
Xu, Lei
;
Dong, Xiaowu
;
Dong, Jun
;
Yi, Xiao
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
Akt1 inhibitor
Synthesis
Cytotoxicity
Molecular docking
Cancer
Design, synthesis, structure-activity relationships, and docking studies of pyrazole-containing derivatives as a novel series of potent glucagon receptor antagonists
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2016, 卷号: 24, 期号: 12, 页码: 2852-2863
作者:
Shu, Shuangjie
;
Cai, Xiaoqing
;
Li, Jia
;
Feng, Yang
;
Dai, Antao
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/01/08
Glucagon receptor
Antagonist
Molecular docking
Pyrazole
Type 2 diabetes mellitus
Design, synthesis, cytotoxic activity and molecular docking studies of new 20(S)-sulfonylamidine camptothecin derivatives
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 115, 页码: 109-120
作者:
Song, ZL
;
Wang, MJ
;
Li, LL
;
Wu, D
;
Wang, YH
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
Camptothecin
Cytotoxic activity
Molecular docking
Sulfonylamidine
Synthesis
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