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arXiv · 1105.0710

Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments

John D. Chodera·Vijay S. Pande
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Abstract

To explain the observed dynamics in equilibrium single-molecule measurements of biomolecules, the experimental observable is often chosen as a putative reaction coordinate along which kinetic behavior is presumed to be governed by diffusive dynamics. Here, we invoke the splitting probability as a test of the suitability of such a proposed reaction coordinate. Comparison of the observed splitting probability with that computed from the kinetic model provides a simple test to reject poor reaction coordinates. We demonstrate this test for a force spectroscopy measurement of a DNA hairpin.

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BibTeXRIS

John D. Chodera, Vijay S. Pande. 2011-07-13. Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments. https://doi.org/10.1103/physrevlett.107.098102

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