Delineating the Structure–Dynamics–Binding Differences among BA.1, BA.4/5, and BF.7 SARS-CoV-2 Variants through Atomistic Simulations: Correlation with Structural and Epidemiological Features-Reference-Cited by-同舟云学术

Delineating the Structure–Dynamics–Binding Differences among BA.1, BA.4/5, and BF.7 SARS-CoV-2 Variants through Atomistic Simulations: Correlation with Structural and Epidemiological Features

Published:2023-10-03 Issue:41 Volume:8 Page:37852-37863
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Joshi Aryaman¹^ORCID,Maurya Shweata²,Mahale Atharva³,Rath Soumya Lipsa³^ORCID,Tripathi Timir⁴^ORCID,Padhi Aditya K.²^ORCID

Affiliation:

1. Department of Chemical Engineering & Technology, Indian Institute of Technology (BHU), Varanasi 221005, Uttar Pradesh India

2. Laboratory for Computational Biology & Biomolecular Design, School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi 221005, Uttar Pradesh India

3. Department of Biotechnology, National Institute of Technology, Warangal 506004, Telangana, India

4. Molecular and Structural Biophysics Laboratory, Department of Biochemistry, North-Eastern Hill University, Shillong 793022, India

Funder

Indian Institute of Technology (BHU) Varanasi

Ministry of Education, India

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.3c02904

Reference40 articles.

1. Scanning the RBD-ACE2 molecular interactions in Omicron variant

2. Structure genomics of SARS-CoV-2 and its Omicron variant: drug design templates for COVID-19

3. Genomic characterization of the 2019 novel human-pathogenic coronavirus isolated from a patient with atypical pneumonia after visiting Wuhan

4. SARS-CoV-2 variants, spike mutations and immune escape

5. SARS-CoV-2 Omicron RBD shows weaker binding affinity than the currently dominant Delta variant to human ACE2