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24 April 2024
 
  » arxiv » cond-mat/0402496

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Probing molecular free energy landscapes by periodic loading
Oliver Braun ; Andreas Hanke ; Udo Seifert ;
Date 19 Feb 2004
Subject Soft Condensed Matter; Statistical Mechanics; Biomolecules | cond-mat.soft cond-mat.stat-mech q-bio.BM
AbstractSingle molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule’s free energy profile from the experimental data is still a challenge, in particular for the unstable barrier regions. We propose a new method for obtaining the full profile by introducing a periodic ramp and using Jarzynski’s identity for obtaining equilibrium quantities from non-equilibrium data. Our simulated experiments show that this method delivers significant more accurate data than previous methods, under the constraint of equal experimental effort.
Source arXiv, cond-mat/0402496
Other source [GID 543441] pmid15524947
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