A critical overview of computational approaches employed for COVID-19 drug discovery

EN Muratov, R Amaro, CH Andrade, N Brown… - Chemical Society …, 2021 - pubs.rsc.org
COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought
the most severe disruptions to societies and economies since the Great Depression …

Airborne transmission of COVID-19: aerosol dispersion, lung deposition, and virus-receptor interactions

YY Zuo, WE Uspal, T Wei - ACS nano, 2020 - ACS Publications
Coronavirus disease 2019 (COVID-19), due to infection by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), is now causing a global pandemic. Aerosol …

Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity

SMC Gobeil, K Janowska, S McDowell, K Mansouri… - Science, 2021 - science.org
INTRODUCTION Variants of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) have been circulating worldwide since the beginning of the pandemic. Some are termed …

The hyper-transmissible SARS-CoV-2 Omicron variant exhibits significant antigenic change, vaccine escape and a switch in cell entry mechanism

BJ Willett, J Grove, OA MacLean, C Wilkie, N Logan… - MedRxiv, 2022 - medrxiv.org
Vaccination-based exposure to spike protein derived from early SARS-CoV-2 sequences is
the key public health strategy against COVID-19. Successive waves of SARS-CoV-2 …

SARS-CoV-2 Omicron is an immune escape variant with an altered cell entry pathway

BJ Willett, J Grove, OA MacLean, C Wilkie… - Nature …, 2022 - nature.com
Vaccines based on the spike protein of SARS-CoV-2 are a cornerstone of the public health
response to COVID-19. The emergence of hypermutated, increasingly transmissible variants …

Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models

HY Huang, HY Liao, X Chen, SW Wang… - Science Translational …, 2022 - science.org
A major challenge to end the pandemic caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) is to develop a broadly protective vaccine that elicits long-term …

An alpaca nanobody neutralizes SARS-CoV-2 by blocking receptor interaction

L Hanke, L Vidakovics Perez, DJ Sheward… - Nature …, 2020 - nature.com
SARS-CoV-2 enters host cells through an interaction between the spike glycoprotein and
the angiotensin converting enzyme 2 (ACE2) receptor. Directly preventing this interaction …

Differential interactions between human ACE2 and spike RBD of SARS-CoV-2 variants of concern

S Kim, Y Liu, Z Lei, J Dicker, Y Cao… - Journal of chemical …, 2021 - ACS Publications
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
the current coronavirus disease 2019 (COVID-19) pandemic. It is known that the receptor …

Molecular architecture of early dissemination and massive second wave of the SARS-CoV-2 virus in a major metropolitan area

SW Long, RJ Olsen, PA Christensen, DW Bernard… - MBio, 2020 - Am Soc Microbiol
We sequenced the genomes of 5,085 severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) strains causing two coronavirus disease 2019 (COVID-19) disease waves in …

Multifaceted computational modeling in glycoscience

S Perez, O Makshakova - Chemical Reviews, 2022 - ACS Publications
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …