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科研机构
大连化学物理研究所 [17]
内容类型
期刊论文 [17]
发表日期
2016 [1]
2015 [3]
2014 [4]
2013 [6]
2012 [3]
学科主题
物理化学 [1]
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专题:大连化学物理研究所
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Computational Analysis of Structure-Based Interactions for Novel H-1-Antihistamines
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016, 卷号: 17, 期号: 1
作者:
Yang, Yinfeng
;
Li, Yan
;
Pan, Yanqiu
;
Wang, Jinghui
;
Lin, Feng
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
3d-qsar
H-1-antihistamines
Docking
Molecular Dynamics
Systems Pharmacology Dissection of the Anti-Inflammatory Mechanism for the Medicinal Herb Folium Eriobotryae
期刊论文
international journal of molecular sciences, 2015, 卷号: 16, 期号: 2, 页码: 2913-2941
作者:
Zhang, Jingxiao
;
Li, Yan
;
Chen, Su-Shing
;
Zhang, Lilei
;
Wang, Jinghui
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2015/11/17
In silico research to assist the investigation of carboxamide derivatives as potent TRPV1 antagonists
期刊论文
molecular biosystems, 2015, 卷号: 11, 期号: 11, 页码: 2885-2899
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Du, Jian
;
Zhang, Shuwei
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2015/11/17
Profiling the interaction mechanism of indole-based derivatives targeting the HIV-1 gp120 receptor
期刊论文
rsc advances, 2015, 卷号: 5, 期号: 95, 页码: 78278-78298
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Zhang, Jingxiao
;
Du, Jian
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/11/17
Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods
期刊论文
journal of molecular structure, 2014, 卷号: 1074, 页码: 294-301
作者:
Li, Yan
;
He, Haoran
;
Wang, Jinghui
;
Han, Chunxiao
;
Feng, Jiaqi
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
Migraine
CGRP receptor antagonist
3D-QSAR
Molecular docking
Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method
期刊论文
international journal of molecular sciences, 2014, 卷号: 15, 期号: 9, 页码: 15475-15502
作者:
Wu, Mingwei
;
Li, Yan
;
Fu, Xinmei
;
Wang, Jinghui
;
Zhang, Shuwei
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2015/11/17
MCHR1
3D-QSAR
molecular docking
MD simulation
Insight into the Structural Features of Pyrazolopyrimidine- and Pyrazolopyridine-based B-Raf(V600E) Kinase Inhibitors by Computational Explorations
期刊论文
chemical biology & drug design, 2014, 卷号: 83, 期号: 6, 页码: 643-655
作者:
Li, Yan
;
Han, Chunxiao
;
Wang, Jinghui
;
Yang, Yinfeng
;
Zhang, Jingxiao
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/17
B-Raf(V600E) kinase
Pyrazolopyrimidine- and pyrazolopyridine-based inhibitors
3D-QSAR
docking
md
Investigation into the mechanism of Eucommia ulmoides Oliv. based on a systems pharmacology approach
期刊论文
journal of ethnopharmacology, 2014, 卷号: 151, 期号: 1, 页码: 452-460
作者:
Li, Yan
;
Han, Chunxiao
;
Wang, Jinghui
;
Xiao, Wei
;
Wang, Zhenzhong
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/11/17
Traditional Chinese Medicine
Eucommia ulmoides Oliv.
Systems pharmacology
Network analysis
Insight into the Structural Requirements of Benzimidazole Derivatives as Interleukin-2 Inducible T-cell Kinase Inhibitors by Computational Explorations
期刊论文
international journal of quantum chemistry, 2013, 卷号: 113, 期号: 21, 页码: 2385-2396
作者:
Wang, Jinghui
;
Li, Feng
;
Li, Yan
;
Yang, Yinfeng
;
Wang, Bin
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2015/11/09
3D-QSAR
ITK inhibitors
comparative molecular field analysis
comparative molecular similarity indices analysis
molecular dynamics
docking
Profiling the Structural Determinants of Heteroarylnitrile Scaffold-Based Derivatives as Falcipain-2 Inhibitors by In Silico Methods
期刊论文
current medicinal chemistry, 2013, 卷号: 20, 期号: 15, 页码: 2032-2042
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Zhang, Shuwei
;
Yang, Ling
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2015/11/09
falcipain-2
3D-QSAR
molecular docking
molecular dynamics
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