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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.
Full article: Virtual screening and molecular dynamics simulation study of abyssomicins as potential inhibitors of COVID‐19 virus main protease and spike protein
Full article: Structural and simulation analysis of hotspot residues interactions of SARS-CoV 2 with human ACE2 receptor
The molecular dynamics simulation results of the interaction between
Raman spectroscopy study of 7,8-dihydrofolate inhibition on the Wuhan strain SARS-CoV-2 binding to human ACE2 receptor - ScienceDirect
Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain - ScienceDirect
Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface - Abstract - Europe PMC
Structure of SARS-CoV-2 spike protein in complex with human
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Molecular Interaction And Inhibition Of SARS-CoV-2 Binding, 54% OFF
The SARS-CoV-2 spike protein is vulnerable to moderate electric fields
Molecular dynamics simulations of the Spike trimeric ectodomain of the SARS-CoV-2 Omicron variant: structural relationships with infectivity, evasion to immune system and transmissibility
Molecular dynamic simulations reveal detailed spike-ACE2 interactions
