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Article

Deciphering the free energy landscapes of SARS-CoV-2 wild type and Omicron variant interacting with human ACE2.

The Journal of chemical physics - 7 Feb 2024

Lan Pham Dang, Nissley Daniel A, O'Brien Edward P, Nguyen Toan T, Li Mai Suan

Abstract excerpt

The binding of the receptor binding domain (RBD) of the SARS-CoV-2 spike protein to the host cell receptor angiotensin-converting enzyme 2 (ACE2) is the first step in human viral infection. Therefore, understanding the mechanism of interaction between RBD and ACE2 at the molecular level is critical for the prevention of COVID-19, as more variants of concern, such as Omicron, appear. Recently, atomic force...

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Identifiers

PMID: 38310477
DOI: 10.1063/5.0188053
PMCID: PMC11223169

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