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Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein
Zhang, Yong; Qian, Jun; Wang, Peng-Ye; Ou-Yang, Zhong-Can; Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
2006
发表期刊JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
ISSN1546-1955
卷号3期号:6页码:964-969
摘要According to a kinetic model for understanding configurational conversion of the prion protein from PrP(C) to PrP(Sc) introduced by Morrissey and Shakhnovich [M. P. Morrissey and E. I. Shakhnovich, Proc. Natl. Acad. Sci. USA 96, 11293 (1999).], H1, an alpha-helix segment present in PrP(C), plays a vital role in the procedure. By employing molecular dynamics, we simulate the conversions of wild type, F198S, F198N, F198G, F198K, F198E, F198M, F198C, F198A, F198D, and F198T, in which F198S is known to induce the formation of PrP(Sc). Our simulations show that H1s in F198S, F198N, F198G, F198K, and F198E are less stable than H1s in the remaining six strains. Our results therefore suggest a possible scheme to test the kinetic model via experiment. Codons coding these amino acids may explain why transition from PrP(C) to PrP(Sc) induced by F198N, F198G, F198K, and F198E are not present in clinical observations.
部门归属Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China; Chinese Acad Sci, Inst Theoret Phys, Beijing 100080, Peoples R China
关键词Scrapie Conversion Stability Diseases
学科领域Physics
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收录类别SCI
WOS记录号WOS:000242873800012
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被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/5845
专题理论物理所1978-2010年知识产出
通讯作者Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
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Zhang, Yong,Qian, Jun,Wang, Peng-Ye,et al. Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein[J]. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,2006,3(6):964-969.
APA Zhang, Yong,Qian, Jun,Wang, Peng-Ye,Ou-Yang, Zhong-Can,&Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China.(2006).Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,3(6),964-969.
MLA Zhang, Yong,et al."Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein".JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 3.6(2006):964-969.
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