Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure.
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...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
2015
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| Online Access: | http://hdl.handle.net/20.500.11937/19193 |
| _version_ | 1848749962670637056 |
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| author | Dingjan, T. Agostino, M. Ramsland, Paul Yuriev, E. |
| author_facet | Dingjan, T. Agostino, M. Ramsland, Paul Yuriev, E. |
| author_sort | Dingjan, T. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T07:29:16Z |
| format | Journal Article |
| id | curtin-20.500.11937-19193 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:29:16Z |
| publishDate | 2015 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-191932017-09-13T15:43:29Z Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. Dingjan, T. Agostino, M. Ramsland, Paul Yuriev, E. 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. 2015 Journal Article http://hdl.handle.net/20.500.11937/19193 10.1007/978-1-4939-2874-3_4 restricted |
| spellingShingle | Dingjan, T. Agostino, M. Ramsland, Paul Yuriev, E. Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title | Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title_full | Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title_fullStr | Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title_full_unstemmed | Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title_short | Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure. |
| title_sort | antibody-carbohydrate recognition from docked ensembles using the automap procedure. |
| url | http://hdl.handle.net/20.500.11937/19193 |