Structure-based kernels for the prediction of catalytic residues and their involvement in human inherited disease.

ABSTRACT:

Motivation

Enzyme catalysis is involved in numerous biological processes and the disruption of enzymatic activity has been implicated in human disease. Despite this, various aspects of catalytic reactions are not completely understood, such as the mechanics of reaction chemistry and the geometry of catalytic residues within active sites. As a result, the computational prediction of catalytic residues has the potential to identify novel catalytic pockets, aid in the design of more efficient enzymes and also predict the molecular basis of disease.

Results

We propose a new kernel-based algorithm for the prediction of catalytic residues based on protein sequence, structure and evolutionary information. The method relies upon explicit modeling of similarity between residue-center

SUBMITTER: Xin F 

PROVIDER: S-EPMC2916715 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature