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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [18]
采集方式
OAI收割 [18]
内容类型
期刊论文 [12]
会议论文 [6]
发表日期
2015 [1]
2014 [3]
2013 [1]
2012 [4]
2011 [3]
2010 [1]
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学科主题
物理化学 [18]
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Fructus Psoraleae contains natural compounds with potent inhibitory effects towards human carboxylesterase 2
期刊论文
OAI收割
fitoterapia, 2015, 卷号: 101, 期号: 1, 页码: 99-106
作者:
Li, Yao-Guang
;
Hou, Jie
;
Li, Shi-Yang
;
Lv, Xia
;
Ning, Jing
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/11/16
Fructus Psoraleae
Human carboxylesterase 2
Inhibitory effects
LC-DAD-ESI-MS/MS
Protonated Form: The Potent Form of Potassium-Competitive Acid Blockers
期刊论文
OAI收割
plos one, 2014, 卷号: 9, 期号: 5, 页码: 97688
作者:
Luo, Hua-Jun
;
Deng, Wei-Qiao
;
Zou, Kun
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/16
Ginsenoside Metabolites Inhibit P-Glycoprotein In Vitro and In Situ Using Three Absorption Models
期刊论文
OAI收割
planta medica, 2014, 卷号: 80, 期号: 4, 页码: 290-296
作者:
Li, Na
;
Wang, Dandan
;
Ge, Guangbo
;
Wang, Xiuli
;
Liu, Yong
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/16
ginseng
ginsenoside
intestinal metabolism
P-glycoprotein
inhibitor
Insight into the binding mode and the structural features of the pyrimidine derivatives as human A(2A) adenosine receptor antagonists
期刊论文
OAI收割
biosystems, 2014, 卷号: 115, 期号: 1, 页码: 13-22
作者:
Zhang, Lihui
;
Liu, Tianjun
;
Wang, Xia
;
Wang, Jinan
;
Li, Guohui
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/16
Pyrimidine derivatives
Human A(2A) adenosine receptor
Molecular docking
Molecular dynamics
Thermodynamic analysis
3D-QSAR
Induced-fit docking and binding free energy calculation on furostanol saponins from Tupistra chinensis as epidermal growth factor receptor inhibitors
期刊论文
OAI收割
medicinal chemistry research, 2013, 卷号: 22, 期号: 10, 页码: 4970-4979
作者:
Luo, Hua-Jun
;
Wang, Jun-Zhi
;
Deng, Wei-Qiao
;
Zou, Kun
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2014/09/11
Furostanol saponins
Induced-fit docking
EGFR
Binding free energy
A Computational Study on Thiourea Analogs as Potent MK-2 Inhibitors
期刊论文
OAI收割
international journal of molecular sciences, 2012, 卷号: 13, 期号: 6, 页码: 7057-7079
作者:
Hao, Ming
;
Ren, Hong
;
Luo, Fang
;
Zhang, Shuwei
;
Qiu, Jieshan
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2013/10/11
3D-QSAR
molecular dynamics
MK-2 inhibitors
CoMFA
CoMSIA
Structure Requirements for 4-Aryl-4H-Chromenes as Apoptosis Inducers Using 3D QSAR Methods and Docking Studies
期刊论文
OAI收割
asian journal of chemistry, 2012, 卷号: 24, 期号: 6, 页码: 2450-2460
作者:
Liu, Zhen
;
Li, Yan
;
Ren, Hong
;
Zhang, Shuwei
;
Wang, Yonghua
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/10/11
Chromenes
Apoptosis inducer
CoMFA
CoMSIA
Caspase-3
Tubulin
Identification of Novel Potential beta-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations
期刊论文
OAI收割
international journal of molecular sciences, 2012, 卷号: 13, 期号: 4, 页码: 4545-4563
作者:
Liu, Jianling
;
Liu, Mengmeng
;
Yao, Yao
;
Wang, Jinan
;
Li, Yan
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2013/10/11
beta-N-acetyl-D-hexosaminidase
OfHex1
inhibitor
virtual screening
molecular dynamics
MM/PBSA
A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation
期刊论文
OAI收割
computational and theoretical chemistry, 2012, 卷号: 984, 页码: 43-50
作者:
Cheng, Wei-yuan
;
Chen, Jian-zhong
;
Liang, Zhi-qiang
;
Li, Guo-hui
;
Yi, Chang-hong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2013/10/11
MD simulation
Computational alanine scanning
MM-GBSA method
p53-MDMX interaction
Cross correlation analysis
Asymmetric synthesis of 2-alkyl-3-phosphonopropanoic acid derivatives via Rh-catalyzed asymmetric hydrogenation
期刊论文
OAI收割
tetrahedron-asymmetry, 2011, 卷号: 22, 期号: 24, 页码: 2117-2123
作者:
Luo, Li-Bin
;
Wang, Dao-Yong
;
Zhou, Xiao-Mao
;
Zheng, Zhuo
;
Hu, Xiang-Ping
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2013/10/11