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《Chemical Research In Chinese Universities》 2003-08
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Preliminary Computer Simulation of Spatial Structure of SARS Coronavirus E-protein

CHEN Yan-Tao, LUO Zhong-Lin, DING Jian-Dong * (Department of Macromolecular Science, Key Laboratory of Molecular Engineering of Polymers of Educational Ministry, Fudan University, Shanghai 200433, China)  
The HP coarse-grained model has been applied to study three-dimensional spatial structures of a protein via lattice Monte Carlo simulation, in which residues exhibit different hydropathical energies. Reversed HP model has also been introduced to deal with protein under a lipid environment. The simulation approach seems very efficient. Preliminary computer experiment has been performed to study E-protein which is believed in the envelope of SARS(Severe Acute Respiratory Syndrome) associated coronavirus. Coil-globule transition has been reproduced in E-protein under a completely aqueous or lipid environment. Heterogeneity of this 76-residue polypeptide is verified to be important. Aqueous environment results in a hydrophobic core and hydrophilic loops. In contrast, lipid environment makes central segment as bridge or loop linking two relatively hydrophilic marginal segments.
【Fund】: 国家自然科学基金 (批准号 :2 982 5 10 9 2 0 1740 0 6 );; 高等学校青年教师教学和科研奖励基金;; 国家“九七三”项目 (批准号 :G19990 5 430 6 -0 3);; “八六三”项目 (批准号 :2 0 0 1AA2 15 45 1);; 上海市科技发展基金 (批准号 :0 2 DZ110 10 )资助
【CateGory Index】: R373
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【References】
Chinese Journal Full-text Database 1 Hits
1 CHEN Yan-tao and LIU Jian-hong College of Chemistry and Chemical Engineering Shenzhen Key Laboratory of Functional PolymerShenzhen University Shenzhen 518060 P.R.China;Computer simulation of SARS coronavirus-associated E protein's folding in biological membrane[J];Journal of Shenzhen University Science and Engineering;2010-01
【Co-references】
Chinese Journal Full-text Database 10 Hits
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