Coarse-grained normal mode analysis in structural biology.

ABSTRACT: The realization that experimentally observed functional motions of proteins can be predicted by coarse-grained normal mode analysis has renewed interest in applications to structural biology. Notable applications include the prediction of biologically relevant motions of proteins and supramolecular structures driven by their structure-encoded collective dynamics; the refinement of low-resolution structures, including those determined by cryo-electron microscopy; and the identification of conserved dynamic patterns and mechanically key regions within protein families. Additionally, hybrid methods that couple atomic simulations with deformations derived from coarse-grained normal mode analysis are able to sample collective motions beyond the range of conventional molecular dynamics simulatio

SUBMITTER: Bahar I 

PROVIDER: S-EPMC1482533 | biostudies-literature | 2005 Oct

REPOSITORIES: biostudies-literature