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Article

Molecular Dynamics Simulations on Spike Protein Mutants Binding with Human β Defensin Type 2.

The journal of physical chemistry. B - 18 Jan 2024

Zhang Liqun, Li Jadeson

Abstract excerpt

Human β defensin type 2 (hBD-2), a cationic cysteine-rich peptide secreted from the human innate immune system, can bind Spike-RBD at the same site as receptor ACE2, thus blocking viral entry into ACE2-expressing cells. In order to find out the impact of CoV-2 mutations on hBD-2's antiviral activity, it is important to investigate the binding and interaction of hBD-2 with RBD mutants. All-atom molecular dynamics...

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Source

Identifiers

PMID: 38189674
DOI: 10.1021/acs.jpcb.3c05460

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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