Molecular dynamic simulations reveal detailed spike-ACE2 interactions
The current COVID-19 pandemic has spread throughout the world. Caused by a single-stranded RNA betacoronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which is closely related to but much more infectious than the earlier highly pathogenic betacoronaviruses SARS and MERS-CoV, has impacted social, economic, and physical health to an unimaginable extent.
Frontiers Screening of Natural Products Targeting SARS-CoV-2–ACE2 Receptor Interface – A MixMD Based HTVS Pipeline
SARS-CoV-2 S protein:ACE2 interaction reveals novel allosteric targets
Binding affinity between coronavirus spike protein and human ACE2 receptor - Computational and Structural Biotechnology Journal
Full article: Structural and simulation analysis of hotspot residues interactions of SARS-CoV 2 with human ACE2 receptor
Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein
In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
Molecular Interaction And Inhibition Of SARS-CoV-2 Binding, 54% OFF
Molecular Interaction And Inhibition Of SARS-CoV-2 Binding, 54% OFF
Dynamics of the ACE2–SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms
Molecular dynamics simulations of the delta and omicron SARS-CoV-2 spike – ACE2 complexes reveal distinct changes between both variants - Computational and Structural Biotechnology Journal
Computational prediction of the effect of mutations in the receptor-binding domain on the interaction between SARS-CoV-2 and human ACE2
Molecular dynamics simulations and functional studies reveal that hBD-2 binds SARS-CoV-2 spike RBD and blocks viral entry into ACE2 expressing cells
Full article: Virtual screening and molecular dynamics simulation study of abyssomicins as potential inhibitors of COVID‐19 virus main protease and spike protein
Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS‐CoV‐2 spike protein - Lupala - 2021 - Quantitative Biology - Wiley Online Library
