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

© 2023 Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 44(2023), 17 vom: 30. Juni, Seite 1560-1577
1. Verfasser: Panthi, Bhavana (VerfasserIn)
Weitere Verfasser: Dutta, Saheb, Chandra, Amalendu
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte: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