English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

A coarse-grained computational procedure based on the Finite Element Methodis proposed to calculate the normal modes and mechanical response of proteinsand their supramolecular assemblies. Motivated by the elastic network model,proteins are modeled as homogeneous isotropic elastic solids with volumedefined by their solvent-excluded surface. The discretized Finite Elementrepresentation is obtained using a surface simplification algorithm thatfacilitates the generation of models of arbitrary prescribed spatialresolution. The procedure is applied to compute the normal modes of a mutant ofT4 phage lysozyme and of filamentous actin, as well as the critical Eulerbuckling load of the latter when subject to axial compression. Results comparefavorably with all-atom normal mode analysis, the Rotation Translation Blocksprocedure, and experiment. The proposed methodology establishes a computationalframework for the calculation of protein mechanical response that facilitatesthe incorporation of specific atomic-level interactions into the model,including aqueous-electrolyte-mediated electrostatic effects. The procedure isequally applicable to proteins with known atomic coordinates as it is toelectron density maps of proteins, protein complexes, and supramolecularassemblies of unknown atomic structure.

A Finite Element framework for computation of protein normal modes and mechanical response