Optimized free energies from bidirectional single-molecule force spectroscopy

An optimized method for estimating path-ensemble averages using data from processes driven in opposite directions is presented. Based on this estimator, bidirectional expressions for reconstructing free energies and potentials of mean force from single-molecule force spectroscopy-valid for biasing p...

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Bibliographic Details
Published in:Physical review letters 2008-05, Vol.100 (18), p.180602-180602, Article 180602
Main Authors: Minh, David D L, Adib, Artur B
Format: Article
Language:English
Subjects:
Computer Simulation
Kinetics
Models, Theoretical
Spectrum Analysis - methods
Thermodynamics
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Summary:An optimized method for estimating path-ensemble averages using data from processes driven in opposite directions is presented. Based on this estimator, bidirectional expressions for reconstructing free energies and potentials of mean force from single-molecule force spectroscopy-valid for biasing potentials of arbitrary stiffness-are developed. Numerical simulations on a model potential indicate that these methods perform better than unidirectional strategies.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.100.180602