Cross-correlation analysis to salt-bridge dynamics in force-induced unfolding of titin kinase

Ming Chya Wu, Jeffrey G. Forbes, Kuan Wang

研究成果: 書貢獻/報告類型會議貢獻

摘要

In this paper, a theoretical study on the saltbridge dynamics of titin kinase is presented. We focus on the analysis of the spatial-temporal properties of the salt-bridge time series of titin kinase in force-induced unfolding simulated by steered molecular dynamics (SMD). Salt-bridge time series are defined from the SMD trajectories. Scaling analysis reveals two characteristics of the time series in short and long time scales, suggesting there is anti-persistent behavior in short-time scale less than 50 ps, while persistent behavior dominates in long-time scale larger than 100 ps. Using cross-correlation analysis, we study the dynamics of the salt-bridges. From analyzing the eigenvectors of the cross-correlation matrix constructed by the salt-bridge data, we classify salt-bridges into distinct groups. The knowledge of the grouping is useful in identifying force-relevant structural transitions.

原文英語
主出版物標題Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011
頁面429-432
頁數4
DOIs
出版狀態已發佈 - 2011
對外發佈Yes
事件21st International Conference on Noise and Fluctuations, ICNF 2011 - Toronto, ON, 加拿大
持續時間: 六月 12 2011六月 16 2011

出版系列

名字Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011

會議

會議21st International Conference on Noise and Fluctuations, ICNF 2011
國家加拿大
城市Toronto, ON
期間6/12/116/16/11

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Mechanical Engineering

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