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Integrated all-atom and coarse-grained simulations uncover structural, dynamics and energetic shifts in SARS-CoV-2 JN.1 and BA.2.86 variants.

Acta tropica - 1 Dec 2024

Sharma Akshit, Maurya Shweata, Tripathi Timir, Padhi Aditya K

Abstract excerpt

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), responsible for the COVID-19 pandemic, is an enveloped, positive-stranded RNA virus that enters human cells by using its spike protein to bind to the human angiotensin-converting enzyme 2 (ACE2) receptor. Since its emergence, the virus has mutated, producing variants with increased transmissibility, immune evasion, and infectivity. The JN.1 variant,...

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PMID: 39471972
DOI: 10.1016/j.actatropica.2024.107444

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