All-atom simulations of the trimeric spike protein of SARS-CoV-2 in aqueous medium : Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 44(2023), 17 vom: 30. Juni, Seite 1560-1577
Auteur principal: Panthi, Bhavana (Auteur)
Autres auteurs: Dutta, Saheb, Chandra, Amalendu
Format: Article en ligne
Langue:English
Publié: 2023
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't closed and open conformational states direct and water-bridged hydrogen bonds free energy diagram intra- and inter-chain interactions spike protein of SARS-COV-2 spike protein, SARS-CoV-2 Angiotensin-Converting Enzyme 2 EC 3.4.17.23 Spike Glycoprotein, Coronavirus