Electrostatic features for the receptor binding domain of SARS-COV-2 wildtype and its variants. Compass to the severity of the future variants with the charge-rule
FL Barroso da Silva, CC Giron… - The Journal of Physical …, 2022 - ACS Publications
Electrostatic intermolecular interactions are important in many aspects of biology. We have
studied the main electrostatic features involved in the interaction of the receptor-binding …
studied the main electrostatic features involved in the interaction of the receptor-binding …
SARS-CoV-2 omicron variant binds to human cells more strongly than the wild type: evidence from molecular dynamics simulation
The emergence of the variant of concern Omicron (B. 1.1. 529) of the severe acute
respiratory syndrome coronavirus 2 has aggravated the Covid-19 pandemic due to its very …
respiratory syndrome coronavirus 2 has aggravated the Covid-19 pandemic due to its very …
[HTML][HTML] Omicron SARS-CoV-2 variant spike protein shows an increased affinity to the human ACE2 receptor: an in silico analysis
The rise of SARS-CoV-2 variants, with changes that could be related to an increased virus
pathogenicity, have received the interest of the scientific and medical community. In this …
pathogenicity, have received the interest of the scientific and medical community. In this …
[HTML][HTML] Predicting the mutation effects of protein–ligand interactions via end-point binding free energy calculations: strategies and analyses
Protein mutations occur frequently in biological systems, which may impact, for example, the
binding of drugs to their targets through impairing the critical H-bonds, changing the …
binding of drugs to their targets through impairing the critical H-bonds, changing the …
Looking for SARS-coV-2 therapeutics through computational approaches
M Vincenzi, FA Mercurio… - Current Medicinal …, 2023 - ingentaconnect.com
Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …
structure-based virtual screening, have been extensively employed to look for anti-COVID …
Arf GTPase activates the WAVE regulatory complex through a distinct binding site
Cross-talk between Rho-and Arf-family guanosine triphosphatases (GTPases) plays an
important role in linking the actin cytoskeleton to membrane protrusions, organelle …
important role in linking the actin cytoskeleton to membrane protrusions, organelle …
[HTML][HTML] An experimental framework for developing point-of-need biosensors: Connecting bio-layer interferometry and electrochemical impedance spectroscopy
Biolayer interferometry (BLI) is a well-established laboratory technique for studying
biomolecular interactions important for applications such as drug development. Currently …
biomolecular interactions important for applications such as drug development. Currently …
Mutations in the receptor-binding domain of human SARS CoV-2 spike protein increases its affinity to bind human ACE-2 receptor
GKRS Naresh, L Guruprasad - Journal of Biomolecular Structure …, 2023 - Taylor & Francis
The severe acute respiratory syndrome virus-2 (SARS CoV-2) infection has resulted in the
current global pandemic. The binding of SARS CoV-2 spike protein receptor-binding domain …
current global pandemic. The binding of SARS CoV-2 spike protein receptor-binding domain …
[HTML][HTML] Early Emerging SARS-CoV-2 Spike Mutants Are Diversified in Virologic Properties but Elicit Compromised Antibody Responses
J Fan, S Li, Y Zhang, J Zheng, D Wang, Y Liao, Z Cui… - Viruses, 2023 - mdpi.com
Despite the effective antivirals and vaccines, COVID-19 remains a public health concern.
The mutations that occurred during the early stage of the pandemic can be valuable in …
The mutations that occurred during the early stage of the pandemic can be valuable in …
A multiple-step in silico screening protocol to identify allosteric inhibitors of Spike–hACE2 binding
While the COVID-19 pandemic continues to worsen, effective medicines that target the life
cycle of SARS-CoV-2 are still under development. As more highly infective and dangerous …
cycle of SARS-CoV-2 are still under development. As more highly infective and dangerous …