Computational docking of antibody-antigen complexes, opportunities and pitfalls illustrated by influenza hemagglutinin.

ABSTRACT: Antibodies play an increasingly important role in both basic research and the pharmaceutical industry. Since their efficiency depends, in ultimate analysis, on their atomic interactions with an antigen, studying such interactions is important to understand how they function and, in the long run, to design new molecules with desired properties. Computational docking, the process of predicting the conformation of a complex from its separated components, is emerging as a fast and affordable technique for the structural characterization of antibody-antigen complexes. In this manuscript, we first describe the different computational strategies for the modeling of antibodies and docking of their complexes, and then predict the binding of two antibodies to the stalk region of influenza hemaggluti

SUBMITTER: Pedotti M 

PROVIDER: S-EPMC3039950 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature