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 dynamic simulation suggests stronger interaction of Omicron-spike with ACE2 than wild but weaker than Delta SARS-CoV-2 can be blocked by engineered S1-RBD fraction
Molecular dynamic simulations reveal detailed spike-ACE2 interactions
Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein
Molecular dynamic simulations reveal detailed spike-ACE2 interactions
Frontiers Refinement of SARS-CoV-2 envelope protein structure in a native-like environment by molecular dynamics simulations
Raman spectroscopy study of 7,8-dihydrofolate inhibition on the Wuhan strain SARS-CoV-2 binding to human ACE2 receptor - ScienceDirect
Frontiers Spike Proteins of SARS-CoV and SARS-CoV-2 Utilize Different Mechanisms to Bind With Human ACE2
Molecular dynamics simulations of RBD:ACE2 (as a reference) show
Cartoon depicting the interaction between the SARS-CoV-2 trimeric spike
A molecular dynamics simulation study of the ACE2 receptor with screened natural inhibitors to identify novel drug candidate against COVID-19 [PeerJ]
