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    • Keywords


      Active site; Brownian dynamics; deformation; molecular mechanics; proteins

    • Abstract


      In order to better understand the mechanical properties of proteins, we have developed simulation tools which enable these properties to be analysed on a residue-by-residue basis. Although these calculations are relatively expensive with all-atom protein models, good results can be obtained much faster using coarse-grained approaches. The results show that proteins are surprisingly heterogeneous from a mechanical point of view and that functionally important residues often exhibit unusual mechanical behaviour. This finding offers a novel means for detecting functional sites and also potentially provides a route for understanding the links between structure and function in more general terms.

    • Author Affiliations


      Richard Lavery1 Sophie Sacquin-Mora2

      1. Institut de Biologie et Chimie des Protéines, CNRS UMR 5086 / Université de Lyon, 7 passage du Vercors, Lyon 69367, France
      2. Laboratoire de Biochimie Théorique, CNRS UPR 9080, Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, Paris 75005, France
    • Dates

  • Journal of Biosciences | News

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      Posted on July 25, 2019

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