Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
A deadly embrace: Hemagglutination mediated by SARS-CoV-2 spike protein at its 22 N-glycosylation sites, red blood cell surface sialoglycoproteins, and antibody
DE Scheim - International journal of molecular sciences, 2022 - mdpi.com
Rouleaux (stacked clumps) of red blood cells (RBCs) observed in the blood of COVID-19
patients in three studies call attention to the properties of several enveloped virus strains …
patients in three studies call attention to the properties of several enveloped virus strains …
Predictions of the SARS-CoV-2 omicron variant (B. 1.1. 529) spike protein receptor-binding domain structure and neutralizing antibody interactions
The genome of the SARS-CoV-2 Omicron variant (B. 1.1. 529) was released on November
22, 2021, which has caused a flurry of media attention due the large number of mutations it …
22, 2021, which has caused a flurry of media attention due the large number of mutations it …
Multiscale topological indices for the quantitative prediction of SARS CoV-2 binding affinity change upon mutations
The Coronavirus disease 2019 (COVID-19) has affected people's lives and the development
of the global economy. Biologically, protein–protein interactions between SARS-CoV-2 …
of the global economy. Biologically, protein–protein interactions between SARS-CoV-2 …
Predicting the immune escape of SARS-CoV-2 neutralizing antibodies upon mutation
COVID-19 has resulted in millions of deaths and severe impact on economies worldwide.
Moreover, the emergence of SARS-CoV-2 variants presented significant challenges in …
Moreover, the emergence of SARS-CoV-2 variants presented significant challenges in …
Design of three residues peptides against SARS-CoV-2 infection
The continuous and rapid spread of the COVID-19 pandemic has emphasized the need to
seek new therapeutic and prophylactic treatments. Peptide inhibitors are a valid alternative …
seek new therapeutic and prophylactic treatments. Peptide inhibitors are a valid alternative …
[HTML][HTML] Structural topological analysis of spike proteins of SARS-CoV-2 variants of concern highlight distinctive amino acid substitution patterns
F Peisahovics, MA Rohaim, M Munir - European Journal of Cell Biology, 2022 - Elsevier
Since the onset of pandemic in 2019, SARS-CoV-2 has diverged into numerous variants
driven by antigenic and infectivity-oriented selection. Some variants have accumulated …
driven by antigenic and infectivity-oriented selection. Some variants have accumulated …
Understanding the mutational frequency in SARS-CoV-2 proteome using structural features
The prolonged transmission of the severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) virus in the human population has led to demographic divergence and the …
CoV-2) virus in the human population has led to demographic divergence and the …
Probing the mutational landscape of the SARS-CoV-2 spike protein via quantum mechanical modeling of crystallographic structures
We employ a recently developed complexity-reduction quantum mechanical (QM-CR)
approach, based on complexity reduction of density functional theory calculations, to …
approach, based on complexity reduction of density functional theory calculations, to …
Progress on the development of prediction tools for detecting disease causing mutations in proteins
Proteins are involved in a variety of functions in living organisms. The mutation of amino acid
residues in a protein alters its structure, stability, binding, and function, with some mutations …
residues in a protein alters its structure, stability, binding, and function, with some mutations …