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 proceedingConference contribution

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 languageEnglish
Title of host publicationProceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011
Pages429-432
Number of pages4
DOIs
Publication statusPublished - 2011
Externally publishedYes
Event21st International Conference on Noise and Fluctuations, ICNF 2011 - Toronto, ON, Canada
Duration: Jun 12 2011Jun 16 2011

Publication series

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

Conference

Conference21st International Conference on Noise and Fluctuations, ICNF 2011
CountryCanada
CityToronto, ON
Period6/12/116/16/11

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Mechanical Engineering

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    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). [5994362] (Proceedings of the IEEE 21st International Conference on Noise and Fluctuations, ICNF 2011). https://doi.org/10.1109/ICNF.2011.5994362