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Splitting probabilities as a test of reaction coordinate choice
eagle-i ID
http://shared.eagle-i.net/i/0000013a-4ad5-b157-5291-c33f80000000
Resource Type
Properties
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Resource Description
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This project provides the Matlab analysis tools for analyzing trajectory data collected from single-molecule experiments or biomolecular simulations to determine whether the observed coordinate is also a good reaction coordinate. Splitting probabilities are computed at various points along the reaction coordinate and compared to the splitting probabilities predicted from a diffusive model on the empirically observed potential of mean force, as described in the paper. Datasets and model systems described in the paper are also provided.
Keywords: data analysis, pfold, single molecule, single-molecule experiments, single-molecule pulling
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Contact
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Pande, Vijay
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Contact
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Chodera, John D., Ph.D.
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Used by
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University of California, Berkeley
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Operating System
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Any
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Software purpose
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Data analysis objective
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Related Publication or Documentation
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Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments.
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Coded in
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MATLAB language
