Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure.
Methods Mol Biol
; 1331: 41-55, 2015.
Article
em En
| MEDLINE
| ID: mdl-26169734
ABSTRACT
Carbohydrate-protein recognition is vital to many processes in health and disease. In particular, elucidation of the structural basis of carbohydrate binding is important to the development of oligosaccharides and oligosaccharide mimetics as vaccines for infectious diseases and cancer. Computational structural techniques are valuable for the study of carbohydrate-protein recognition due to the challenges associated with experimental determination of carbohydrate-protein complexes. AutoMap is a computer program that we have developed to study protein-ligand recognition. AutoMap determines the interactions taking place in a set of highly ranked poses obtained from molecular docking and processes these to identify the protein residues most likely to be involved in interactions. In this protocol, we describe the use of AutoMap and illustrate its suitability for studying antibody recognition of the Lewis Y tetrasaccharide, which is a potential cancer vaccine antigen.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Carboidratos
/
Anticorpos
Limite:
Humans
Idioma:
En
Ano de publicação:
2015
Tipo de documento:
Article