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.

Molecular dynamics simulations of RBD:ACE2 (as a reference) show

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Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein

Molecular Interaction And Inhibition Of SARS-CoV-2 Binding, 54% OFF

Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor

Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain - ScienceDirect

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Molecular dynamic simulations reveal detailed spike-ACE2 interactions