Thermodynamics of protein folding using a modified Wako-Saitô- Muñoz-Eaton model

Min Yeh Tsai*, Jian Min Yuan, Teranishi Yoshiaki, Sheng Hsien Lin


研究成果: Meeting Abstract同行評審

5 引文 斯高帕斯(Scopus)


Herein, we propose a modified version of the Wako-Saitô-Muñoz- Eaton (WSME) model. The proposed model introduces an empirical temperature parameter for the hypothetical structural units (i.e.; foldons) in proteins to include site-dependent thermodynamic behavior. The thermodynamics for both our proposed model and the original WSME model were investigated. For a system with beta-hairpin topology, a mathematical treatment (contact-pair treatment) to facilitate the calculation of its partition function was developed. The results show that the proposed model provides better insight into the site-dependent thermodynamic behavior of the system, compared with the original WSME model. From this site-dependent point of view, the relationship between probe-dependent experimental results and model's thermodynamic predictions can be explained. The model allows for suggesting a general principle to identify foldon behavior. We also find that the backbone hydrogen bonds may play a role of structural constraints in modulating the cooperative system. Thus, our study may contribute to the understanding of the fundamental principles for the thermodynamics of protein folding.

頁(從 - 到)543-571
期刊Journal of Biological Physics
出版狀態Published - 1 9月 2012


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