Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

The entry of the SARS-CoV-2, a causative agent of COVID-19, into human host cells is mediated by the SARS-CoV-2 spike (S) glycoprotein, which critically depends on the formation of complexes involving the spike protein receptor-binding domain (RBD) and the human cellular membrane receptor angiotensi...

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Bibliographic Details
Main Authors: Nitesh Kumawat, Andrejs Tucs, Soumen Bera, Gennady N. Chuev, Marat Valiev, Marina V. Fedotova, Sergey E. Kruchinin, Koji Tsuda, Adnan Sljoka, Amit Chakraborty
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
site density functional theory
3DRISM
spike protein binding to human receptor
coronavirus
structural rigidity
normal mode analysis
Online Access:https://www.mdpi.com/1420-3049/27/3/799

Internet

https://www.mdpi.com/1420-3049/27/3/799

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