SnugDock: paratope structural optimization during antibody-antigen docking compensates for errors in antibody homology models

High resolution structures of antibody-antigen complexes are useful for analyzing the binding interface and to make rational choices for antibody engineering. When a crystallographic structure of a complex is unavailable, the structure must be predicted using computational tools. In this work, we il...

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Veröffentlicht in:	PLoS computational biology 2010-01, Vol.6 (1), p.e1000644-e1000644
Hauptverfasser:	Sircar, Aroop, Gray, Jeffrey J
Format:	Artikel
Sprache:	eng
Schlagworte:	Accuracy Algorithms Antibodies - chemistry Antibodies - metabolism Antigen-Antibody Complex - chemistry Antigen-Antibody Complex - metabolism Antigen-antibody reactions Antigens - chemistry Antigens - metabolism Binding Sites, Antibody Biochemistry/Bioinformatics Biochemistry/Drug Discovery Biochemistry/Protein Folding Biochemistry/Theory and Simulation Biophysics/Biomacromolecule-Ligand Interactions Biophysics/Protein Folding Biophysics/Theory and Simulation Computational Biology/Protein Structure Prediction Crystal structure Crystals Immunology/Antigen Processing and Recognition Medical research Models, Molecular Molecular Biology/Bioinformatics Pharmacology/Drug Development Protein Binding Proteins Structural Homology, Protein Structure
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