BiophysicsScientific ReportsPeer-reviewed
Effect of cysteine oxidation in SARS-CoV-2 Spike protein on its conformational changes: insights from atomistic simulations
Maryam Ghasemitarei, Hoda Taeb, Tayebeh Ghorbi…·Annemie Bogaerts
This study uses molecular dynamics simulations to show that cysteine oxidation in SARS-CoV-2 Spike protein increases energy barriers for conformational transitions, stabilizing the protein structure.