Skip to main content
eScholarship
Open Access Publications from the University of California

UC San Diego

UC San Diego Previously Published Works bannerUC San Diego

Free-energy reconstruction from experiments performed under different biasing programs

  • Author(s): Minh, David D L
  • et al.
Abstract

Recently developed nonequilibrium statistical physics relationships, including Jarzynski's equality and the Crooks fluctuation theorem, have been used to calculate equilibrium thermodynamic properties using data from both laboratory and computational experiments. Although Jarzynski's derivation does not include an explicit time dependency, prior work utilizing the relationship to reconstruct free-energy surfaces has combined data from experiments performed under identical conditions. Here, a formalism is developed for combining data from a variety of biasing protocols, as in dynamic force spectroscopy experiments. The method is then demonstrated on data from simulations conducted under a wide range of pulling velocities and with a random biasing protocol.

Many UC-authored scholarly publications are freely available on this site because of the UC's open access policies. Let us know how this access is important for you.

Main Content
For improved accessibility of PDF content, download the file to your device.
Current View