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.

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E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces [PeerJ]

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The molecular dynamic simulation results of interaction between

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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

Molecular dynamic simulations reveal detailed spike-ACE2 interactions

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Differential Interactions Between Human ACE2 and Spike RBD of SARS-CoV-2 Variants of Concern

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