Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise

Simple item page
dc.creatorMaragakis, Paul
dc.creatorRitort, Felix
dc.creatorBustamante, Carlos
dc.creatorKarplus, Martin
dc.creatorCrooks, Gavin E.
dc.date2007-07-01
dc.date.accessioned2026-07-07T09:58:56Z
dc.date.available2026-07-07T09:58:56Z
dc.descriptionThe Jarzynski equality and the fluctuation theorem relate equilibrium free energy differences to non-equilibrium measurements of the work. These relations extend to single-molecule experiments that have probed the finite-time thermodynamics of proteins and nucleic acids. The effects of experimental error and instrument noise have not previously been considered. Here, we present a Bayesian formalism for estimating free-energy changes from non-equilibrium work measurements that compensates for instrument noise and combines data from multiple driving protocols. We reanalyze a recent set of experiments in which a single RNA hairpin is unfolded and refolded using optical tweezers at three different rates. Interestingly, the fastest and farthest-from-equilibrium measurements contain the least instrumental noise, and therefore provide a more accurate estimate of the free energies than a few slow, more noisy, near-equilibrium measurements. The methods we propose here will extend the scope of single-molecule experiments; they can be used in the analysis of data from measurements with AFM, optical, and magnetic tweezers.
dc.description8 pages
dc.identifierhttps://arxiv.org/abs/0707.0089
dc.identifierhttp://arxiv.org/abs/0707.0089
dc.identifierJ. Chem. Phys. 129, 024102 (2008)
dc.identifierdoi:10.1063/1.2937892
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/167863
dc.subjectStatistical Mechanics
dc.subjectSoft Condensed Matter
dc.titleBayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise
dc.typetext

Files

Collections

arXiv