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In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT.
R Soc Open Sci. 2023 Jan 11;10(1):220430. doi: 10.1098/rsos.220430. eCollection 2023 Jan.
R Soc Open Sci. 2023.
PMID: 36686549
Free PMC article.
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study.
Nkungli NK, Fouegue ADT, Tasheh SN, Bine FK, Hassan AU, Ghogomu JN.
Nkungli NK, et al. Among authors: tasheh sn.
Mol Divers. 2024 Apr;28(2):475-496. doi: 10.1007/s11030-022-10594-3. Epub 2023 Jan 9.
Mol Divers. 2024.
PMID: 36622482
Free PMC article.
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Theoretical screening of N-[5'-methyl-3'-isoxasolyl]-N-[(E)-1-(-2-thiophene)] methylidene]amine and its isoxazole based derivatives as donor materials for bulk heterojunction organic solar cells: DFT and TD-DFT investigation.
Tendongmo H, Kogge BF, Tamafo Fouegue AD, Tasheh SN, Tessa CBN, Ghogomu JN.
Tendongmo H, et al. Among authors: tasheh sn.
J Mol Model. 2024 May 21;30(6):176. doi: 10.1007/s00894-024-05978-1.
J Mol Model. 2024.
PMID: 38773049
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