stability and folding behavior analysis of zinc-finger using simple models稳定和锌指使用简单的折叠行为分析模型.pdf

Int. J. Mol. Sci. 2010, 11, 4014-4034; doi:10.3390/ijm OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Article Stability and Folding Behavior Analysis of Zinc-Finger Using Simple Models Shan Chang 1,*, Xiong Jiao 2, Jian-Ping Hu 3, Yan Chen 1 and Xu-Hong Tian 1,* 1 College of Informatics, South China Agricultural University, Guangzhou 510642, China; E-Mail: ayan0426@ 2 Institute of Applied Mechanics and Biomedical Engineering, Taiyuan University of technology, Taiyuan 030024, China; E-Mail: jiaoxiong@ 3 College of Chemistry and Life Science, Leshan Teachers College, Leshan 614000, China; E-Mail: lion_hjp@ * Authors to whom correspondence should be addressed; E-Mails: schang@ (S.C.); tianxuhong@ (X.-H.T.); Tel.: +86-20 Fax: +86-20 Received: 07 September 2010; in revised form: 01 October 2010 / Accepted: 09 October 2010 / Published: 19 October 2010 Abstract: Zinc-fingers play crucial roles in regulating gene expression and mediating protein-protein interactions. In this article, two different proteins (Sp1f2 and FSD-1) are investigated using the Gaussian network model and anisotropy elastic network model. By using these simple coarse-grained methods, we analyze the structural stabilization and establish the unfolding pathway of the two different proteins, in good agreement with related experimenta