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Article

Single mutation induced H3N2 hemagglutinin antibody neutralization: a free energy perturbation study.

The journal of physical chemistry. B - 11 Dec 2008

Zhou Ruhong, Das Payel, Royyuru Ajay K

Abstract excerpt

The single mutation effect on the binding affinity of H3N2 viral protein hemagglutinin (HA) with the monoclonical antibody fragment (Fab) is studied in this paper using the free energy perturbation (FEP) simulations. An all-atom protein model with explicit solvents is used to perform an aggregate of several microsecond FEP molecular dynamics simulations. A recent experiment shows that a single mutation in H3N2...

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Share to Antibodies, Viral
Share to Computer Simulation
Share to Hemagglutinin Glycoproteins, Influenza Virus

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Influenza A Virus, H3N2 Subtype

Share to Models, Molecular

Share to Neutralization Tests

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Source

Identifiers

PMID: 19367871
DOI: 10.1021/jp805529z

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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