Discovering rules for protein-ligand specificity using support vector inductive logic programming.

ABSTRACT: Structural genomics initiatives are rapidly generating vast numbers of protein structures. Comparative modelling is also capable of producing accurate structural models for many protein sequences. However, for many of the known structures, functions are not yet determined, and in many modelling tasks, an accurate structural model does not necessarily tell us about function. Thus, there is a pressing need for high-throughput methods for determining function from structure. The spatial arrangement of key amino acids in a folded protein, on the surface or buried in clefts, is often the determinants of its biological function. A central aim of molecular biology is to understand the relationship between such substructures or surfaces and biological function, leading both to function prediction

SUBMITTER: Kelley LA 

PROVIDER: S-EPMC3913550 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature