As a more efficient and effective way to address disease diagnosis and intervention, cutting-
edge technologies, devices, therapeutic approaches, and practices have emerged within the …

The Spike receptor binding domain (S-RBD) from SARS-CoV-2, a crucial protein for the
entrance of the virus into target cells is known to cause infection by binding to a cell surface …

Since the spread of the deadly virus SARS-CoV-2 in late 2019, researchers have restlessly
sought to unravel how the virus enters the host cells. Some proteins on each side of the …

Molecular dynamics (MD) simulations allow insights into complex processes, but accurate
MD simulations require costly quantum-mechanical calculations. For larger systems, efficient …

SARS-CoV and SARS-CoV-2 bind to the human ACE2 receptor in practically identical
conformations, although several residues of the receptor-binding domain (RBD) differ …

Rapid, straightforward, and massive diagnosis of coronavirus disease 2019 (COVID-19) is
one of the more important measures to mitigate the current pandemics. This work reports on …

SARS-CoV-2 has evolved continuously and accumulated spike mutations with each variant
having a different binding for the cellular ACE2 receptor. It is not known whether the …

Molecular dynamics (MD) simulations allow atomistic insights into chemical and biological
processes. Accurate MD simulations require computationally demanding quantum …

To explore the mechanistic origin that determines the binding affinity of SARS-CoV-2 spike
receptor binding domain (RBD) to human angiotensin converting enzyme 2 (ACE2), we …

Infection and viral entry of SARS-CoV-2 crucially depends on the binding of its Spike protein
to angiotensin converting enzyme 2 (ACE2) presented on host cells. Glycosylation of both …