[HTML][HTML] Comprehensive structural and molecular comparison of spike proteins of SARS-CoV-2, SARS-CoV and MERS-CoV, and their interactions with ACE2

MM Hatmal, W Alshaer, MAI Al-Hatamleh, M Hatmal… - Cells, 2020 - mdpi.com
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has recently emerged
in China and caused a disease called coronavirus disease 2019 (COVID-19). The virus …

Infection mechanism of SARS-COV-2 and its implication on the nervous system

EE Reza-Zaldívar, MA Hernández-Sapiéns… - Frontiers in …, 2021 - frontiersin.org
In late December 2019, multiple atypical pneumonia cases resulted in severe acute
respiratory syndrome caused by a pathogen identified as a novel coronavirus SARS-CoV-2 …

Omicron BA. 2 (B. 1.1. 529.2): high potential for becoming the next dominant variant

J Chen, GW Wei - The journal of physical chemistry letters, 2022 - ACS Publications
The Omicron variant has three subvariants: BA. 1 (B. 1.1. 529.1), BA. 2 (B. 1.1. 529.2), and
BA. 3 (B. 1.1. 529.3). BA. 2 is found to be able to alarmingly reinfect patients originally …

Rapid and efficient detection of the SARS-CoV-2 spike protein using an electrochemical aptamer-based sensor

A Idili, C Parolo, R Alvarez-Diduk, A Merkoçi - ACS sensors, 2021 - ACS Publications
The availability of sensors able to rapidly detect SARS-CoV-2 directly in biological fluids in a
single step would allow performing massive diagnostic testing to track in real time and …

[HTML][HTML] The new SARS-CoV-2 strain shows a stronger binding affinity to ACE2 due to N501Y mutant

F Ali, A Kasry, M Amin - Medicine in drug discovery, 2021 - Elsevier
SARS-CoV-2 is a global challenge due to its ability to spread much faster than the SARS-
CoV, which was attributed to the mutations in the receptor binding domain (RBD). These …

Key interacting residues between RBD of SARS-CoV-2 and ACE2 receptor: combination of molecular dynamics simulation and density functional calculation

B Jawad, P Adhikari, R Podgornik… - Journal of chemical …, 2021 - ACS Publications
The spike protein of SARS-CoV-2 binds to the ACE2 receptor via its receptor-binding
domain (RBD), with the RBD–ACE2 complex presenting an essential molecular target for …

Binding interactions between receptor-binding domain of spike protein and human angiotensin converting enzyme-2 in omicron variant

B Jawad, P Adhikari, R Podgornik… - The journal of physical …, 2022 - ACS Publications
The emergence of new SARS-CoV-2 Omicron variant of concern (OV) has exacerbated the
COVID-19 pandemic because of a large number of mutations in the spike protein …

Is the rigidity of SARS-CoV-2 spike receptor-binding motif the hallmark for its enhanced infectivity? Insights from all-atom simulations

A Spinello, A Saltalamacchia… - The journal of physical …, 2020 - ACS Publications
The severe acute respiratory syndrome coronavirus (SARS-CoV-2) pandemic is setting the
global health crisis of our time, causing a devastating societal and economic burden. An …

Considerations around the SARS-CoV-2 spike protein with particular attention to COVID-19 brain infection and neurological symptoms

K Hassanzadeh, H Perez Pena, J Dragotto… - ACS chemical …, 2020 - ACS Publications
Spike protein (S protein) is the virus “key” to infect cells and is able to strongly bind to the
human angiotensin-converting enzyme2 (ACE2), as has been reported. In fact, Spike …

Accelerating COVID-19 research using molecular dynamics simulation

AK Padhi, SL Rath, T Tripathi - The Journal of Physical Chemistry …, 2021 - ACS Publications
The COVID-19 pandemic has emerged as a global medico-socio-economic disaster. Given
the lack of effective therapeutics against SARS-CoV-2, scientists are racing to disseminate …