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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.
SARS-CoV-2 S protein:ACE2 interaction reveals novel allosteric targets
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
Ai helps identify critical interactions for SARS-CoV-2 spike protein binding to ACE2
Processes, 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
The molecular dynamics simulation results of the interaction between
Computational insights into differential interaction of mammalian angiotensin-converting enzyme 2 with the SARS-CoV-2 spike receptor binding domain - ScienceDirect
Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein
IJMS, Free Full-Text
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 interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor
Molecular dynamics simulation of S-nitrosylation of ACE2 a, Molecular
How will mutations change the SARS-CoV-2 spike protein in the future?
