Biomolecular pleiomorphism probed by spatial interpolation of coarse models.

ABSTRACT: In low resolution structures of biological assemblies one can often observe conformational deviations that require a flexible rearrangement of structural domains fitted at the atomic level. We are evaluating interpolation methods for the flexible alignment of atomic models based on coarse models. Spatial interpolation is well established in image-processing and visualization to describe the overall deformation or warping of an object or an image. Combined with a coarse representation of the biological system by feature vectors, such methods can provide a flexible approximation of the molecular structure. We have compared three well-known interpolation techniques and evaluated the results by comparing them with constrained molecular dynamics. One method, inverse distance weighting interpola

SUBMITTER: Rusu M 

PROVIDER: S-EPMC2732278 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature