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 potentials of arbitrary stiffness-are developed. Numerical simulations on a model potential indicate that these methods perform better than unidirectional strategies.
Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, Maryland 20892, USA. daveminh@gmail.com
David D L
DD
Minh
Artur B
AB
Adib
D003198:Computer Simulation; D007700:Kinetics; D008962:Models, Theoretical; D013057:Spectrum Analysis / Q000379:methods*; D013816:Thermodynamics