Quaternary structure predictions of transmembrane proteins starting from the monomer: a docking-based approach.

ABSTRACT:

Background

We introduce a computational protocol for effective predictions of the supramolecular organization of integral transmembrane proteins, starting from the monomer. Despite the demonstrated constitutive and functional importance of supramolecular assemblies of transmembrane subunits or proteins, effective tools for structure predictions of such assemblies are still lacking. Our computational approach consists in rigid-body docking samplings, starting from the docking of two identical copies of a given monomer. Each docking run is followed by membrane topology filtering and cluster analysis. Prediction of the native oligomer is therefore accomplished by a number of progressive growing steps, each made of one docking run, filtering and cluster analysis. With this approach, kn

SUBMITTER: Casciari D 

PROVIDER: S-EPMC1590055 | biostudies-literature | 2006 Jul

REPOSITORIES: biostudies-literature