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

Ming Chya Wu; Jeffrey G. Forbes; Kuan Wang

doi:10.1109/ICNF.2011.5994362

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

Ming Chya Wu, Jeffrey G. Forbes, Kuan Wang

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Citation (Scopus)

Abstract

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.

Original language	English
Title of host publication	Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011
Pages	429-432
Number of pages	4
DOIs	https://doi.org/10.1109/ICNF.2011.5994362
Publication status	Published - 2011
Externally published	Yes
Event	21st International Conference on Noise and Fluctuations, ICNF 2011 - Toronto, ON, Canada Duration: Jun 12 2011 → Jun 16 2011

Publication series

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

Conference

Conference	21st International Conference on Noise and Fluctuations, ICNF 2011
Country/Territory	Canada
City	Toronto, ON
Period	6/12/11 → 6/16/11

ASJC Scopus subject areas

Electrical and Electronic Engineering
Mechanical Engineering

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10.1109/ICNF.2011.5994362

Cite this

Wu, M. C., Forbes, J. G., & Wang, K. (2011). Cross-correlation analysis to salt-bridge dynamics in force-induced unfolding of titin kinase. In Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011 (pp. 429-432). Article 5994362 (Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011). https://doi.org/10.1109/ICNF.2011.5994362

Cross-correlation analysis to salt-bridge dynamics in force-induced unfolding of titin kinase. / Wu, Ming Chya; Forbes, Jeffrey G.; Wang, Kuan.
Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011. 2011. p. 429-432 5994362 (Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Wu, MC, Forbes, JG & Wang, K 2011, Cross-correlation analysis to salt-bridge dynamics in force-induced unfolding of titin kinase. in Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011., 5994362, Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011, pp. 429-432, 21st International Conference on Noise and Fluctuations, ICNF 2011, Toronto, ON, Canada, 6/12/11. https://doi.org/10.1109/ICNF.2011.5994362

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abstract = "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.",

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

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