Molecular dynamic simulations reveal detailed spike-ACE2 interactions

Molecular dynamic simulations reveal detailed spike-ACE2 interactions

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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.

Raman spectroscopy study of 7,8-dihydrofolate inhibition on the Wuhan strain SARS-CoV-2 binding to human ACE2 receptor - ScienceDirect

Impact of new variants on SARS-CoV-2 infectivity and neutralization: A molecular assessment of the alterations in the spike-host protein interactions - ScienceDirect

Molecular dynamics simulation of S-nitrosylation of ACE2 a, Molecular

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Molecular dynamic simulation analysis of SARS-CoV-2 spike mutations and evaluation of ACE2 from pets and wild animals for infection risk - ScienceDirect

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

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A molecular dynamics simulation study of the ACE2 receptor with screened natural inhibitors to identify novel drug candidate against COVID-19 [PeerJ]

Frontiers The Impact of ACE2 Polymorphisms on COVID-19 Disease: Susceptibility, Severity, and Therapy