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<title xml:lang="en">Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments</title>
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<name sortKey="Chodera, John D" sort="Chodera, John D" uniqKey="Chodera J" first="John D." last="Chodera">John D. Chodera</name>
<affiliation>
<nlm:aff id="A1">California Institute of Quantitative Biosciences (QB3), University of California, Berkeley, CA 94720</nlm:aff>
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<author>
<name sortKey="Pande, Vijay S" sort="Pande, Vijay S" uniqKey="Pande V" first="Vijay S." last="Pande">Vijay S. Pande</name>
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<nlm:aff id="A2">Department of Chemistry, Stanford University, Stanford, CA 94305</nlm:aff>
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<title xml:lang="en" level="a" type="main">Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments</title>
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<name sortKey="Chodera, John D" sort="Chodera, John D" uniqKey="Chodera J" first="John D." last="Chodera">John D. Chodera</name>
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<nlm:aff id="A1">California Institute of Quantitative Biosciences (QB3), University of California, Berkeley, CA 94720</nlm:aff>
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<name sortKey="Pande, Vijay S" sort="Pande, Vijay S" uniqKey="Pande V" first="Vijay S." last="Pande">Vijay S. Pande</name>
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<nlm:aff id="A2">Department of Chemistry, Stanford University, Stanford, CA 94305</nlm:aff>
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<title level="j">Physical review letters</title>
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<p id="P1">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.</p>
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<journal-id journal-id-type="nlm-journal-id">0401141</journal-id>
<journal-id journal-id-type="pubmed-jr-id">21217</journal-id>
<journal-id journal-id-type="nlm-ta">Phys Rev Lett</journal-id>
<journal-id journal-id-type="iso-abbrev">Phys. Rev. Lett.</journal-id>
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<journal-title>Physical review letters</journal-title>
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<article-title>Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments</article-title>
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<name>
<surname>Chodera</surname>
<given-names>John D.</given-names>
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<xref ref-type="corresp" rid="CR2">*</xref>
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<name>
<surname>Pande</surname>
<given-names>Vijay S.</given-names>
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California Institute of Quantitative Biosciences (QB3), University of California, Berkeley, CA 94720</aff>
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Department of Chemistry, Stanford University, Stanford, CA 94305</aff>
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Corresponding author;
<email>pande@stanford.edu</email>
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<email>jchodera@berkeley.edu</email>
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<month>8</month>
<year>2011</year>
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<month>8</month>
<year>2011</year>
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<day>29</day>
<month>1</month>
<year>2016</year>
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<pmc-comment>elocation-id from pubmed: 10.1103/PhysRevLett.107.098102</pmc-comment>
<abstract>
<p id="P1">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.</p>
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