[HTML][HTML] Modeling SARS-CoV-2 spike/ACE2 protein–protein interactions for predicting the binding affinity of new spike variants for ACE2, and novel ACE2 structurally …

V Tragni, F Preziusi, L Laera, A Onofrio, I Mercurio… - EPMA Journal, 2022 - Springer
Aims The rapid spread of new SARS-CoV-2 variants has highlighted the crucial role played
in the infection by mutations occurring at the SARS-CoV-2 spike receptor binding domain …

In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor

Y Zhang, X He, J Zhai, B Ji, VH Man… - Briefings in …, 2021 - academic.oup.com
Severe acute respiratory syndrome coronavirus (SARS-CoV-2), a novel coronavirus, has
brought an unprecedented pandemic to the world and affected over 64 million people. The …

[HTML][HTML] Insilico study on the effect of SARS-CoV-2 RBD hotspot mutants' interaction with ACE2 to understand the binding affinity and stability

J Verma, N Subbarao - Virology, 2021 - Elsevier
The fall of 2020 brought several new variants of SARS-CoV-2 circulating across the globe,
and the steadily increasing COVID-19 cases are responsible for the emergence of these …

Comparison of SARS-CoV-2 spike protein binding to human, pet, farm animals, and putative intermediate hosts ACE2 and ACE2 receptors

X Zhai, J Sun, Z Yan, J Zhang, J Zhao, Z Zhao, Q Gao… - bioRxiv, 2020 - biorxiv.org
The emergence of a novel coronavirus, SARS-CoV-2, resulted in a pandemic. Here, we
used recently released X-ray structures of human ACE2 bound to the receptor-binding …

[HTML][HTML] Computational prediction of the effect of mutations in the receptor-binding domain on the interaction between SARS-CoV-2 and human ACE2

I Celik, A Khan, FM Dwivany, Fatimawali, DQ Wei… - Molecular Diversity, 2022 - Springer
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causing COVID-19
continues to mutate. Numerous studies have indicated that this viral mutation, particularly in …

The role of S477N mutation in the molecular behavior of SARS‐CoV‐2 spike protein: An in‐silico perspective

M Mondeali, A Etemadi, K Barkhordari… - Journal of Cellular …, 2023 - Wiley Online Library
The attachment of SARA‐CoV‐2 happens between ACE2 and the receptor binding domain
(RBD) on the spike protein. Mutations in this domain can affect the binding affinity of the …

The high infectivity of SARS-CoV-2 B. 1.1. 7 is associated with increased interaction force between Spike-ACE2 caused by the viral N501Y mutation

JC Santos, GA Passos - BioRxiv, 2021 - biorxiv.org
The Spike glycoprotein receptor-binding domain (RBD) of SARS-CoV-2 mediates the viral
particle's binding to the angiotensin-converting enzyme 2 (ACE2) receptor on the surface of …

[HTML][HTML] Mutations in the SARS-CoV-2 spike protein modulate the virus affinity to the human ACE2 receptor, an in silico analysis

JT Ortega, FH Pujol, B Jastrzebska, HR Rangel - EXCLI journal, 2021 - ncbi.nlm.nih.gov
The increasing number of SARS-CoV-2 variants associated with highly transmissible
phenotypes is a health-public concern in the current pandemic scenario. Herein, we …

[HTML][HTML] Impact of the double mutants on spike protein of SARS-CoV-2 B. 1.617 lineage on the human ACE2 receptor binding: A structural insight

MI Khan, MH Baig, T Mondal, M Alorabi, T Sharma… - Viruses, 2021 - mdpi.com
The recent emergence of novel SARS-CoV-2 variants has threatened the efforts to contain
the COVID-19 pandemic. The emergence of these “variants of concern” has increased …

Bioinformatics analysis of the differences in the binding profile of the wild-type and mutants of the SARS-CoV-2 spike protein variants with the ACE2 receptor

M Suleman, Q Yousafi, J Ali, SS Ali, Z Hussain… - Computers in biology …, 2021 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
coronavirus disease 2019 (COVID-19). Reports of new variants that potentially increase …