Steps and bumps: precision extraction of discrete states of molecular machines using physically-based, high-throughput time series analysis

Details Steps and bumps: precision extraction of discrete states of molecular machines using physically-based, high-throughput time series analysis Steps and bumps: precision extraction of discrete states of molecular machines using physically-based, high-throughput time series analysis

2010-04-08

arxiv.org/abs/1004.1234v1

Biology

Quantitative Biology

Quantitative Methods

Scientific paper

We report new statistical time-series analysis tools providing significant improvements in the rapid, precision extraction of discrete state dynamics from large databases of experimental observations of molecular machines. By building physical knowledge and statistical innovations into analysis tools, we demonstrate new techniques for recovering discrete state transitions buried in highly correlated molecular noise. We demonstrate the effectiveness of our approach on simulated and real examples of step-like rotation of the bacterial flagellar motor and the F1-ATPase enzyme. We show that our method can clearly identify molecular steps, symmetries and cascaded processes that are too weak for existing algorithms to detect, and can do so much faster than existing algorithms. Our techniques represent a major advance in the drive towards automated, precision, highthroughput studies of molecular machine dynamics. Modular, open-source software that implements these techniques is provided at http://www.eng.ox.ac.uk/samp/members/max/software/

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