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科研机构
大连理工大学 [10]
内容类型
期刊论文 [10]
发表日期
2013 [10]
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发表日期:2013
专题:大连理工大学
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FIPSDock: A new molecular docking technique driven by fully informed swarm optimization algorithm
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2013, 卷号: 34, 页码: 67-75
作者:
Liu, Yu
;
Zhao, Lei
;
Li, Wentao
;
Zhao, Dongyu
;
Song, Miao
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
protein-ligand binding
flexible docking
cross-docking
docking accuracy
conformational sampling
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, 页码: 2032-2042
作者:
Wang, Jinghui
;
Li, Yan
;
Yang, Yinfeng
;
Zhang, Shuwei
;
Yang, Ling
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
falcipain-2
3D-QSAR
molecular docking
molecular dynamics
Biotransformation of indole by whole cells of recombinant biphenyl dioxygenase and biphenyl-2,3-dihydrodiol-2,3-dehydrogenase
期刊论文
BIOCHEMICAL ENGINEERING JOURNAL, 2013, 卷号: 72, 页码: 54-60
作者:
Qu, Yuanyuan
;
Xu, Bingwen
;
Zhang, Xuwang
;
Ma, Qiao
;
Zhou, Hao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
Biotransformation
Biphenyl dioxygenase
Indole
Indigo
Molecular docking
Mechanism of the plant cytochrome P450 for herbicide resistance: a modelling study
期刊论文
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2013, 卷号: 28, 页码: 1182-1191
作者:
Li, Qinfan
;
Fang, Yupeng
;
Li, Xiuxiu
;
Zhang, Hong
;
Liu, Mengmeng
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Cytochrome P450
chlortoluron
homology modelling
molecular docking
molecular dynamics simulation
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, 页码: 2385-2396
作者:
Wang, Jinghui
;
Li, Feng
;
Li, Yan
;
Yang, Yinfeng
;
Wang, Bin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
3D-QSAR
ITK inhibitors
comparative molecular field analysis
comparative molecular similarity indices analysis
molecular dynamics
docking
Microscopic modes and free energies for topoisomerase I-DNA covalent complex binding with non-camptothecin inhibitors by molecular docking and dynamics simulations
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 132, 页码: -
作者:
Wei, Ning-Ning
;
Hamza, Adel
;
Hao, Ce
;
Xiu, Zhilong
;
Zhan, Chang-Guo
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Protein-ligand interaction
Binding affinity
Molecular dynamics simulation
Enzyme inhibitor
MUTUAL ARTIFICIAL BEE COLONY ALGORITHM FOR MOLECULAR DOCKING
期刊论文
INTERNATIONAL JOURNAL OF BIOMATHEMATICS, 2013, 卷号: 6
作者:
Ma, Ruixin
;
Xu, Xiujuan
;
Zhao, Lei
;
Cao, Ren
;
Fang, Qiang
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/11
Artificial Bee Colony
AutoDock
molecular docking
Understanding the pH-dependent immobilization efficacy of feruloyl esterase-C on mesoporous silica and its structure activity changes
期刊论文
JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC, 2013, 卷号: 93, 页码: 65-72
作者:
Thorn, Christian
;
Udatha, D. B. R. K. Gupta
;
Zhou, Hao
;
Christakopoulos, Paul
;
Topakas, Evangelos
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
Enzyme immobilization
Feruloyl esterases
Mesoporous silica
Molecular simulations
Docking
Swarm intelligence for molecular docking
期刊论文
International Journal of Modelling, Identification and Control, 2013, 卷号: 18, 页码: 357-363
作者:
Liu Y.
;
Zhao L.
;
Li M.
;
Zhao C.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/13
A new molecular docking method based on residue groups and PMF scoring function
期刊论文
Journal of Chemical and Pharmaceutical Research, 2013, 卷号: 5, 页码: 1066-1069
作者:
Li Z.
;
Wang X.
;
Li K.
;
Kang L.
;
Guo Q.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/13
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