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 …

[HTML][HTML] An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the …

MB Singh, R Sharma, D Kumar, P Khanna… - Journal of infection and …, 2022 - Elsevier
The first infection case of new coronavirus was reported at the end of 2019 and after then,
the cases are reported in all nations across the world in a very short period. Further, the …

COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms

M Ostaszewski, A Niarakis, A Mazein… - Molecular systems …, 2021 - embopress.org
We need to effectively combine the knowledge from surging literature with complex datasets
to propose mechanistic models of SARS‐CoV‐2 infection, improving data interpretation and …

High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor

A Clyde, S Galanie, DW Kneller, H Ma… - Journal of chemical …, 2021 - ACS Publications
Despite the recent availability of vaccines against the acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), the search for inhibitory therapeutic agents has assumed …

[HTML][HTML] A comprehensive analysis of SARS-CoV-2 missense mutations indicates that all possible amino acid replacements in the viral proteins occurred within the …

N Balasco, G Damaggio, L Esposito, V Colonna… - International Journal of …, 2024 - Elsevier
The surveillance of COVID-19 pandemic has led to the determination of millions of genome
sequences of the SARS-CoV-2 virus, with the accumulation of a wealth of information never …

Recent advances in electrochemical and nanophotonic biosensors for SARS-CoV-2 detection

YK Lee, HS Song - BioChip Journal, 2024 - Springer
The contagious respiratory illness coronavirus disease 2019 (COVID-19) has had an
unprecedented impact on both global health and society, causing a global pandemic due to …

Crystal structure of the CoV-Y domain of SARS-CoV-2 nonstructural protein 3

Y Li, Y Pustovalova, W Shi, O Gorbatyuk… - Scientific Reports, 2023 - nature.com
Replication of the coronavirus genome starts with the formation of viral RNA-containing
double-membrane vesicles (DMV) following viral entry into the host cell. The multi-domain …

Lessons learnt from COVID-19: computational strategies for facing present and future pandemics

M Pavan, S Moro - International Journal of Molecular Sciences, 2023 - mdpi.com
Since its outbreak in December 2019, the COVID-19 pandemic has caused the death of
more than 6.5 million people around the world. The high transmissibility of its causative …

Molecular dynamics analysis of a flexible loop at the binding interface of the SARS‐CoV‐2 spike protein receptor‐binding domain

JK Williams, B Wang, A Sam, CL Hoop… - Proteins: Structure …, 2022 - Wiley Online Library
Since the identification of the SARS‐CoV‐2 virus as the causative agent of the current
COVID‐19 pandemic, considerable effort has been spent characterizing the interaction …

Characteristics of the SARS-CoV-2 Omicron (B. 1.1. 529) variant and emerging impact on global public health

M Rabiul Islam, W Nasreen, R Anjum… - Clinical …, 2022 - journals.sagepub.com
The discovery of the SARS-CoV-2 Omicron (B. 1.1. 529) variant has sparked alarm globally
because of its rapid rate of infection and trespassing acquired immunity due to vaccination …