Optimized free energies from bidirectional single-molecule force spectroscopy

Abstract

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.

4 pages, 2 figures

References in corpus (2)

• Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise
• Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators

Cited by in corpus (1)

• Free energy landscape of mechanically unfolded model proteins: extended Jarzinsky versus inherent structure reconstruction