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Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization

Paper ID Volume ID Publish Year Pages File Format Full-Text
15495 1417 2007 5 PDF Available
Title
Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
Abstract

The sequential determination of crystal structures of the SARS coronavirus spike receptor-binding domain (RBD) in complex with its cellular receptor or neutralizing antibody opened a door for the design and development of antiviral competitive inhibitors. Based on those complex structures, we conduct computational characterization and design of RBD-mediated receptor recognition and antibody neutralization. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics protocols. And the calculations predict a number of single substitutions on RBD, receptor or antibody that could remarkably elevate the binding affinities of those complexes. It is reasonable to anticipate our structure-based computation-derived hypotheses could be informative to the future biochemical and immunological tests.

Keywords
SARS coronavirus; Spike protein; Receptor recognition; Antibody neutralization; Protein design
First Page Preview
Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
Publisher
Database: Elsevier - ScienceDirect
Journal: Computational Biology and Chemistry - Volume 31, Issue 2, April 2007, Pages 129–133
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering