Title :
Change of amino acid network on the unfolding pathway
Author :
Xiong Jiao ; Lifeng Yang
Author_Institution :
Inst. of Appl. Mech. & Biomed. Eng., Taiyuan Univ. of Technol., Taiyuan, China
Abstract :
Based on a modified amino acid network model, the dynamic simulation trajectory of a small protein (3CI2) is analyzed. The ration between different type of links is calculated, and the change of the long-rang link is calculated at the same time. With the conformation cluster analysis, the transition state can be got, and the network parameter betweenness of this state is analyzed.
Keywords :
molecular biophysics; molecular clusters; molecular configurations; molecular dynamics method; proteins; amino acid network model; conformation cluster analysis; dynamic simulation trajectory; long-rang link; protein; transition state; unfolding pathway; Amino acids; Analytical models; Biological system modeling; Complex networks; Protein engineering; Proteins; Trajectory; amino acid network; dynamic simulation; evolution; parameter;
Conference_Titel :
Human Health and Biomedical Engineering (HHBE), 2011 International Conference on
Conference_Location :
Jilin
Print_ISBN :
978-1-61284-723-8
DOI :
10.1109/HHBE.2011.6028995
