2 results match your criteria: "Lebanon. Electronic address: t.hamieh@maastrichtuniversity.nl.[Affiliation]"
SARS-CoV-2: Prediction of critical ionic amino acid mutations.
Comput Biol Med
August 2024
Faculty of Science and Engineering, Maastricht University, P.O. Box 616, 6200 MD Maastricht, the Netherlands; Laboratory of Materials, Catalysis, Environment and Analytical Methods (MCEMA), Faculty of Sciences, Lebanese University, Hadath, Lebanon. Electronic address:
Article Synopsis
- SARS-CoV-2, responsible for COVID-19, has numerous global variants, with a focus on mutations in the spike protein (S protein) that aid the virus in binding to host cells.
- Researchers examined ionic amino acid mutations in the S1 spike protein when interacting with Antibody CC12.1, using a computational model and advanced calculations of binding free energy.
- The study identified specific mutations that could enhance the virus's ability to resist the antibody, suggesting potential future threats beyond existing variants, with some mutations acting as strong inhibitors and others as mild inhibitors in terms of binding affinity.
Surface thermodynamics and Lewis acid-base properties of metal-organic framework Crystals by Inverse gas chromatography at infinite dilution.
J Chromatogr A
March 2022
Laboratory of Materials, Catalysis, Environment and Analytical Methods Laboratory (MCEMA), Faculty of Sciences, Lebanese University, Hadath, Lebanon; Laboratory of Applied Studies to the Sustainable Development and Renewable Energies (LEADDER), EDST, Faculty of Sciences, Lebanese University, Hadath, Lebanon.
In this study, the surface thermodynamic properties and more particularly, the dispersive component γ of the surface energy of crystals of a Zr-based MOF, UiO-66 (ZrO(OH)(BDC); BDC = benzene 1,4-dicarboxylic acid), the specific interactions, and their acid-base constants were determined by using different molecular models and inverse gas chromatography methods. The determination of γ of the UiO-66 surface was obtained by using several models such as Dorris-Gray and those based on the Fowkes relation by applying the various molecular models giving the surface areas of n-alkanes and polar organic molecules. Six models were used: Kiselev, spherical, geometric, Van der Waals, Redlich-Kwong, and cylindrical models.
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