Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein

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	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
	Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein
发表期刊	JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (IF:1.666[JCR-2015],1.109[5-Year])
关键词	Scrapie Conversion Stability Diseases
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.
	2006
ISSN	1546-1955
卷号	3 期号:6 页码:964-969
学科领域	Physics
收录类别	SCI
引用统计	被引频次：3[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	SCI期刊论文
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
推荐引用方式 GB/T 7714	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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