Splitting probabilities as a test of reaction coordinate choice

eagle-i ID

Resource Type

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