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Updated: Jul 16, 2026

Engineering Antiviral Agents via Surface Plasmon Resonance
Published on: June 14, 2022
Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
Yuan Zhang1, Nan Zheng, Yang Zhong
1School of Life Sciences, Fudan University, Shanghai 200433, China. yuanzhang5@fudan.edu.cn
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.
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