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      Conformational landscape of a virus by single-particle X-ray scattering

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          Abstract

          A 9-nm-resolution structure of PR772 virus and a movie of its continuous conformational changes are determined from single-particle X-ray scattering data.

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          Is Open Access

          A nonequilibrium equality for free energy differences

          An expression is derived for the classical free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the other. Two well-known equilibrium identities emerge as limiting cases of this result.
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            CrystFEL: a software suite for snapshot serial crystallography

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              Path ensembles averages in systems driven far-from-equilibrium

              The Kawasaki nonlinear response relation, the transient fluctuation theorem, and the Jarzynski nonequilibrium work relation are all expressions that describe the behavior of a system that has been driven from equilibrium by an external perturbation. In contrast to linear response theory, these expressions are exact no matter the strength of the perturbation, or how far the system has been driven away from equilibrium. In this paper I show that these three relations (and several other closely related results) can all be considered special cases of a single theorem. This expression is explicitly derived for discrete time and space Markovian dynamics, with the additional assumptions that the single time step dynamics preserve the appropriate equilibrium ensemble, and that the energy of the system remains finite.
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                Author and article information

                Journal
                Nature Methods
                Nat Meth
                Springer Nature
                1548-7091
                1548-7105
                August 14 2017
                August 14 2017
                :
                :
                Article
                10.1038/nmeth.4395
                28805793
                716fe972-a679-4b3f-8864-02e48a44b802
                © 2017
                History

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