Comparison of structure-based and threading-based approaches to protein functional annotation.

ABSTRACT: To exploit the vast amount of sequence information provided by the Genomic revolution, the biological function of these sequences must be identified. As a practical matter, this is often accomplished by functional inference. Purely sequence-based approaches, particularly in the "twilight zone" of low sequence similarity levels, are complicated by many factors. For proteins, structure-based techniques aim to overcome these problems; however, most require high-quality crystal structures and suffer from complex and equivocal relations between protein fold and function. In this study, in extensive benchmarking, we consider a number of aspects of structure-based functional annotation: binding pocket detection, molecular function assignment and ligand-based virtual screening. We demonstrate that

SUBMITTER: Brylinski M 

PROVIDER: S-EPMC2804779 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature