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Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2-oxo-2-(4-oxo-4H-pyrido [1.2-a] pyrimidin-3-yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
J Comput Chem. 2022 May 30;43(14):972-985. doi: 10.1002/jcc.26853. Epub 2022 Apr 5.
J Comput Chem. 2022.
PMID: 35383996
Unraveling the sequence of electron flows along the reaction mechanism by quantum topological tools: The 32CA reaction of acetonitrile oxide with 7-bromo-oxanorborn-5-en-2-one.
Idrice AA, Karelle DL, Rene Blaise LN, Maraf MB, Cyrille NN, Alphonse E, Mbadcam KJ, Ibrahim MN.
Idrice AA, et al. Among authors: maraf mb.
J Mol Graph Model. 2020 May;96:107513. doi: 10.1016/j.jmgm.2019.107513. Epub 2019 Dec 16.
J Mol Graph Model. 2020.
PMID: 31881470
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Virtual screening, MMGBSA, and molecular dynamics approaches for identification of natural products from South African biodiversity as potential Onchocerca volvulus pi-class glutathione S-transferase inhibitors.
Maraf MB, Mountessou BYG, Hans Merlin TF, Ariane P, Fekoua JNN, Jean Yves TB, Raoul TTD, Abouem A Zintchem A, Bebga G, Mbouombouo NI, Ramasami P.
Maraf MB, et al.
Heliyon. 2024 Apr 18;10(9):e29560. doi: 10.1016/j.heliyon.2024.e29560. eCollection 2024 May 15.
Heliyon. 2024.
PMID: 38694068
Free PMC article.
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