A comprehensive review of COVID-19 virology, vaccines, variants, and therapeutics

L Forchette, W Sebastian, T Liu - Current medical science, 2021 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative pathogen of
the coronavirus disease 2019 (COVID-19), has caused more than 179 million infections and …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

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 …

Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants

CHS da Costa, CAB de Freitas, CN Alves… - Scientific Reports, 2022 - nature.com
The severe acute respiratory syndrome (SARS) coronavirus 2 (CoV-2) variant Omicron
spread more rapid than the other variants of SARS-CoV-2 virus. Mutations on the Spike (S) …

Predicting mutational effects on receptor binding of the spike protein of SARS-CoV-2 variants

C Bai, J Wang, G Chen, H Zhang, K An… - Journal of the …, 2021 - ACS Publications
The pandemic caused by SARS-CoV-2 has cost millions of lives and tremendous
social/financial loss. The virus continues to evolve and mutate. In particular, the recently …

Electrostatic features for the receptor binding domain of SARS-COV-2 wildtype and its variants. Compass to the severity of the future variants with the charge-rule

FL Barroso da Silva, CC Giron… - The Journal of Physical …, 2022 - ACS Publications
Electrostatic intermolecular interactions are important in many aspects of biology. We have
studied the main electrostatic features involved in the interaction of the receptor-binding …

TEMPO: A transformer-based mutation prediction framework for SARS-CoV-2 evolution

B Zhou, H Zhou, X Zhang, X Xu, Y Chai, Z Zheng… - Computers in Biology …, 2023 - Elsevier
The widespread of SARS-CoV-2 presents a significant threat to human society, as well as
public health and economic development. Extensive efforts have been undertaken to battle …

Supramolecular organization of SARS-CoV and SARS-CoV-2 virions revealed by coarse-grained models of intact virus envelopes

B Wang, C Zhong, DP Tieleman - Journal of chemical information …, 2021 - ACS Publications
The coronavirus disease 19 (COVID-19) pandemic is causing a global health crisis and has
already caused a devastating societal and economic burden. The pathogen, severe acute …

In silico Screening of Natural Phytocompounds Towards Identification of Potential Lead Compounds to Treat COVID-19

M Sankar, B Ramachandran, B Pandi… - Frontiers in molecular …, 2021 - frontiersin.org
COVID-19 is one of the members of the coronavirus family that can easily assail humans. As
of now, 10 million people are infected and above two million people have died from COVID …

Critical interactions between the SARS-CoV-2 spike glycoprotein and the human ACE2 receptor

E Taka, SZ Yilmaz, M Golcuk, C Kilinc… - The Journal of …, 2021 - ACS Publications
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infects human cells by
binding its spike (S) glycoproteins to angiotensin-converting enzyme 2 (ACE2) receptors …