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.

Processes, Free Full-Text

Biology, Free Full-Text

Mutational landscape and in silico structure models of SARS-CoV-2 spike receptor binding domain reveal key molecular determinants for virus-host interaction, BMC Molecular and Cell Biology

Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design

Mutational landscape and in silico structure models of SARS-CoV-2 spike receptor binding domain reveal key molecular determinants for virus-host interaction, BMC Molecular and Cell Biology

Molecules, -Text

Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core

Frontiers Refinement of SARS-CoV-2 envelope protein structure in a native-like environment by molecular dynamics simulations

Computational models screen for coronaviruses likely to infect humans

Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions

SARS-CoV-2 pandemic and research gaps: Understanding SARS-CoV-2 interaction with the ACE2 receptor and implications for therapy