CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Improving B-cell epitope prediction and its application to global antibody-antigen docking
Krawczyk, K; Liu, XF; Baker, T; Shi, J; Deane, CM; deane@stats.ox.ac.uk
2014
Source PublicationBIOINFORMATICS
ISSN1367-4803
Volume30Issue:16Pages:2288—2294
AbstractMotivation: Antibodies are currently the most important class of biopharmaceuticals. Development of such antibody-based drugs depends on costly and time-consuming screening campaigns. Computational techniques such as antibody-antigen docking hold the potential to facilitate the screening process by rapidly providing a list of initial poses that approximate the native complex. Results: We have developed a new method to identify the epitope region on the antigen, given the structures of the antibody and the antigen-EpiPred. The method combines conformational matching of the antibody-antigen structures and a specific antibody-antigen score. We have tested the method on both a large non-redundant set of antibody-antigen complexes and on homology models of the antibodies and/or the unbound antigen structure. On a non-redundant test set, our epitope prediction method achieves 44% recall at 14% precision against 23% recall at 14% precision for a background random distribution. We use our epitope predictions to rescore the global docking results of two rigid-body docking algorithms: ZDOCK and ClusPro. In both cases including our epitope, prediction increases the number of near-native poses found among the top decoys.
KeywordProtein-docking Algorithm
Indexed BySCI
Language英语
WOS IDWOS:000342746000007
Citation statistics
Cited Times:38[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14183
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authordeane@stats.ox.ac.uk
Recommended Citation
GB/T 7714
Krawczyk, K,Liu, XF,Baker, T,et al. Improving B-cell epitope prediction and its application to global antibody-antigen docking[J]. BIOINFORMATICS,2014,30(16):2288—2294.
APA Krawczyk, K,Liu, XF,Baker, T,Shi, J,Deane, CM,&deane@stats.ox.ac.uk.(2014).Improving B-cell epitope prediction and its application to global antibody-antigen docking.BIOINFORMATICS,30(16),2288—2294.
MLA Krawczyk, K,et al."Improving B-cell epitope prediction and its application to global antibody-antigen docking".BIOINFORMATICS 30.16(2014):2288—2294.
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