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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

  1. Software

Properties

  1. Resource Description
    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
  2. Contact
    Pande, Vijay
  3. Contact
    Chodera, John D., Ph.D.
  4. Used by
    University of California, Berkeley
  5. Operating System
    Any
  6. Software purpose
    Data analysis objective
  7. Related Publication or Documentation
    Splitting probabilities as a test of reaction coordinate choice in single-molecule experiments.
  8. Coded in
    MATLAB language
 
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The eagle-i Consortium is supported by NIH Grant #5U24RR029825-02 / Copyright 2016