Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis.

ABSTRACT: Protein structural fluctuation, typically measured by Debye-Waller factors, or B-factors, is a manifestation of protein flexibility, which strongly correlates to protein function. The flexibility-rigidity index (FRI) is a newly proposed method for the construction of atomic rigidity functions required in the theory of continuum elasticity with atomic rigidity, which is a new multiscale formalism for describing excessively large biomolecular systems. The FRI method analyzes protein rigidity and flexibility and is capable of predicting protein B-factors without resorting to matrix diagonalization. A fundamental assumption used in the FRI is that protein structures are uniquely determined by various internal and external interactions, while the protein functions, such as stability and flexibi

SUBMITTER: Opron K 

PROVIDER: S-EPMC4098052 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature