Application of asymmetric statistical potentials to antibody-protein docking.

ABSTRACT:

Motivation

An effective docking algorithm for antibody-protein antigen complex prediction is an important first step toward design of biologics and vaccines. We have recently developed a new class of knowledge-based interaction potentials called Decoys as the Reference State (DARS) and incorporated DARS into the docking program PIPER based on the fast Fourier transform correlation approach. Although PIPER was the best performer in the latest rounds of the CAPRI protein docking experiment, it is much less accurate for docking antibody-protein antigen pairs than other types of complexes, in spite of incorporating sequence-based information on the location of the paratope. Analysis of antibody-protein antigen complexes has revealed an inherent asymmetry within these interfaces. Specif

SUBMITTER: Brenke R 

PROVIDER: S-EPMC3467743 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature