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Comparative Study of the Mutations Observed in the SARS-CoV-2 RBD Variants of Concern and Their Impact on the Interaction with the ACE2 Protein.
J Phys Chem B. 2023 Oct 12;127(40):8586-8602. doi: 10.1021/acs.jpcb.3c01467. Epub 2023 Sep 29.
J Phys Chem B. 2023.
PMID: 37775095
Free article.
Identifying promising druggable binding sites and their flexibility to target the receptor-binding domain of SARS-CoV-2 spike protein.
Ghoula M, Naceri S, Sitruk S, Flatters D, Moroy G, Camproux AC.
Ghoula M, et al.
Comput Struct Biotechnol J. 2023;21:2339-2351. doi: 10.1016/j.csbj.2023.03.029. Epub 2023 Mar 18.
Comput Struct Biotechnol J. 2023.
PMID: 36998674
Free PMC article.
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Exploring the Structural Rearrangements of the Human Insulin-Degrading Enzyme through Molecular Dynamics Simulations.
Ghoula M, Janel N, Camproux AC, Moroy G.
Ghoula M, et al.
Int J Mol Sci. 2022 Feb 3;23(3):1746. doi: 10.3390/ijms23031746.
Int J Mol Sci. 2022.
PMID: 35163673
Free PMC article.
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Identification of the Interactions Interference Between the PH and START Domain of CERT by Limonoid and HPA Inhibitors.
Ghoula M, Le Marec A, Magnan C, Le Stunff H, Taboureau O.
Ghoula M, et al.
Front Mol Biosci. 2020 Nov 27;7:603983. doi: 10.3389/fmolb.2020.603983. eCollection 2020.
Front Mol Biosci. 2020.
PMID: 33330630
Free PMC article.
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