Bayesian Single-Exponential Kinetics in Single-Molecule Experiments and Simulations Export

@article{citeulike:5469137, abstract = {PMID: 19681587 In this work, we develop a fully Bayesian method for the calculation of probability distributions of single-exponential rates for any single-molecule process. These distributions can even be derived when no transitions from one state to another have been observed, since in that case the data can be used to estimate a lower bound on the rate. Using a Bayesian hypothesis test, one can easily test whether a transition occurs at the same rate or at different rates in two data sets. We illustrate these methods with molecular dynamics simulations of the folding of a β-sheet protein. However, the theory presented here can be used on any data from simulation or experiment for which a two-state description is appropriate.}, author = {Ensign, Daniel L. and Pande, Vijay S.}, citeulike-article-id = {5469137}, citeulike-linkout-0 = {http://dx.doi.org/10.1021/jp903107c}, citeulike-linkout-1 = {http://pubs.acs.org/doi/abs/10.1021/jp903107c}, day = {10}, doi = {10.1021/jp903107c}, journal = {The Journal of Physical Chemistry B}, keywords = {data-analysis, sms, theory}, month = {September}, number = {36}, pages = {12410--12423}, posted-at = {2009-08-18 18:01:38}, priority = {2}, title = {Bayesian Single-Exponential Kinetics in Single-Molecule Experiments and Simulations}, url = {http://dx.doi.org/10.1021/jp903107c}, volume = {113}, year = {2009} }

TY - JOUR ID - citeulike:5469137 L3 - citeulike-article-id:5469137 N2 - PMID: 19681587 In this work, we develop a fully Bayesian method for the calculation of probability distributions of single-exponential rates for any single-molecule process. These distributions can even be derived when no transitions from one state to another have been observed, since in that case the data can be used to estimate a lower bound on the rate. Using a Bayesian hypothesis test, one can easily test whether a transition occurs at the same rate or at different rates in two data sets. We illustrate these methods with molecular dynamics simulations of the folding of a β-sheet protein. However, the theory presented here can be used on any data from simulation or experiment for which a two-state description is appropriate. IS - 36 JF - The Journal of Physical Chemistry B EP - 12423 TI - Bayesian Single-Exponential Kinetics in Single-Molecule Experiments and Simulations VL - 113 SP - 12410 KW - data-analysis KW - sms KW - theory AU - Ensign, Daniel AU - Pande, Vijay PY - 2009/09/10/ UR - http://dx.doi.org/10.1021/jp903107c ER -