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Synthesis and toxicity assessment of Fe3O4 NPs grafted by ∼ NH2-Schiff base as anticancer drug: modeling and proposed molecular mechanism through docking and molecular dynamic simulation.
Drug Deliv. 2020 Dec;27(1):1201-1217. doi: 10.1080/10717544.2020.1801890.
Drug Deliv. 2020.
PMID: 32772887
Free PMC article.
Biological evaluation, proposed molecular mechanism through docking and molecular dynamic simulation of derivatives of chitosan.
Malekshah RE, Shakeri F, Aallaei M, Hemati M, Khaleghian A.
Malekshah RE, et al. Among authors: aallaei m.
Int J Biol Macromol. 2021 Jan 1;166:948-966. doi: 10.1016/j.ijbiomac.2020.10.252. Epub 2020 Nov 2.
Int J Biol Macromol. 2021.
PMID: 33152362
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Investigation of Cu metal nanoparticles with different morphologies to inhibit SARS-CoV-2 main protease and spike glycoprotein using Molecular Docking and Dynamics Simulation.
Aallaei M, Molaakbari E, Mostafavi P, Salarizadeh N, Maleksah RE, Afzali D.
Aallaei M, et al.
J Mol Struct. 2022 Apr 5;1253:132301. doi: 10.1016/j.molstruc.2021.132301. Epub 2021 Dec 31.
J Mol Struct. 2022.
PMID: 35001970
Free PMC article.
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Synthesis, molecular dynamics simulation and adsorption study of different pollutants on functionalized mesosilica.
Pelalak R, Soltani R, Heidari Z, Malekshah RE, Aallaei M, Marjani A, Rezakazemi M, Shirazian S.
Pelalak R, et al. Among authors: aallaei m.
Sci Rep. 2021 Jan 21;11(1):1967. doi: 10.1038/s41598-020-80566-w.
Sci Rep. 2021.
PMID: 33479295
Free PMC article.
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