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Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors.
J Biomol Struct Dyn. 2023 Jul 24:1-15. doi: 10.1080/07391102.2023.2238314. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 37485860
In silico design of novel CDK2 inhibitors through QSAR, ADMET, molecular docking and molecular dynamics simulation studies.
Moussaoui M, Baassi M, Baammi S, Soufi H, Salah M, Daoud R, El Allali A, Belghiti ME, Belaaouad S.
Moussaoui M, et al. Among authors: baassi m.
J Biomol Struct Dyn. 2023;41(23):13646-13662. doi: 10.1080/07391102.2023.2212304. Epub 2023 May 19.
J Biomol Struct Dyn. 2023.
PMID: 37203327
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Towards designing of a potential new HIV-1 protease inhibitor using QSAR study in combination with Molecular docking and Molecular dynamics simulations.
Baassi M, Moussaoui M, Soufi H, Rajkhowa S, Sharma A, Sinha S, Belaaouad S.
Baassi M, et al.
PLoS One. 2023 Apr 20;18(4):e0284539. doi: 10.1371/journal.pone.0284539. eCollection 2023.
PLoS One. 2023.
PMID: 37079533
Free PMC article.
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