title: Protein mechanics: a route from structure to function.
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.
authors.affiliation: Institut de Biologie et Chimie des Proteines, CNRS UMR 5086/Universite de Lyon, 7 passage du Vercors, Lyon 69367, France. Richard.Lavery@ibcp.fr
authors.forename: Richard
authors.initials: R
authors.lastname: Lavery
authors.forename: Sophie
authors.initials: S
authors.lastname: Sacquin-Mora
mesh_terms: D000818:Animals; D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000502:physiology*; D013329:Structure-Activity Relationship
chemical_list: D011506:Proteins