Insights into the specific binding site of adenosine to the Stx2, the protein toxin from Escherichia coli O157:H7 using molecular dynamics simulations and free energy calculations (English)
- New search for: Niu, Xiaodi
- New search for: Wang, Xin
- New search for: Wang, Hongsu
- New search for: Gao, Xiaohan
- New search for: Wang, Yanan
- New search for: Wang, Song
- New search for: Niu, Xiaodi
- New search for: Wang, Xin
- New search for: Wang, Hongsu
- New search for: Gao, Xiaohan
- New search for: Wang, Yanan
- New search for: Wang, Song
In:
Molecular Simulation
;
39
, 3
;
199-205
;
2013
- Article (Journal) / Electronic Resource
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Title:Insights into the specific binding site of adenosine to the Stx2, the protein toxin from Escherichia coli O157:H7 using molecular dynamics simulations and free energy calculations
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Contributors:Niu, Xiaodi ( author ) / Wang, Xin ( author ) / Wang, Hongsu ( author ) / Gao, Xiaohan ( author ) / Wang, Yanan ( author ) / Wang, Song ( author )
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Published in:Molecular Simulation ; 39, 3 ; 199-205
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:2013-03-01
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Size:7 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 39, Issue 3
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 169
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Molecular dynamics simulation of the interaction between polyaspartic acid and calcium carbonateZeng, Jian-Ping / Wang, Feng-He / Gong, Xue-Dong et al. | 2013
- 176
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Formation of one-dimensional Pt structures in VET-type zeolites: a combined force field and first principles studyHuertas-Miranda, Javier A. / Martínez-Iñesta, María M. et al. | 2013
- 185
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Electronic structure simulations of 2,6-dimethyl-2,5-heptadien-4-one by FTIR, FT-Raman, NMR, UV–vis, NBO and density functional theoryArjunan, V. / Jayaprakash, A. / Santhanam, R. / Marchewka, M. K. / Mohan, S. et al. | 2013
- 199
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Insights into the specific binding site of adenosine to the Stx2, the protein toxin from Escherichia coli O157:H7 using molecular dynamics simulations and free energy calculationsNiu, Xiaodi / Wang, Xin / Wang, Hongsu / Gao, Xiaohan / Wang, Yanan / Wang, Song et al. | 2013
- 206
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QM/MM and free-energy simulations of deacylation reaction catalysed by sedolisin, a serine-carboxyl peptidaseYao, Jianzhuang / Xu, Qin / Guo, Hong et al. | 2013
- 214
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Theoretical investigation of second-order nonlinear optical response by linking hexamolybdate with graphene in the donor–acceptor (D–A) frameworkMelcamu, Yared Yohannes / Wen, Shizheng / Yan, Likai / Zhang, Ting / Su, Zhongmin et al. | 2013
- 220
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Ab initio calculation of the deprotonation constants of an atomistically defined nanometer-sized, aluminium hydroxide oligomerWander, Matthew C.F. / Shuford, Kevin L. / Rustad, James R. / Casey, William H. et al. | 2013
- 228
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Agonist and antagonist recognition studies for oestrogen receptor by molecular dynamics simulationLi, Wen-Ming / Li, Xiao-Bo / Sun, Su-Xia / Liang, Jing / Wang, Run-Ling / Wang, Shu-Qing et al. | 2013
- 234
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QSPR based on support vector machines to predict the glass transition temperature of compounds used in manufacturing OLEDsBarbosa-da-Silva, Rogério / Stefani, Ricardo et al. | 2013
- 245
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DFT calculations of carbon monoxide adsorbed on anatase TiO2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequencyScaranto, Jessica / Giorgianni, Santi et al. | 2013