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Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N2,N4-diaminoquinazoline and N2,N6-diaminopurine scaffolds.
Bioorg Med Chem. 2022 Dec 15;76:117092. doi: 10.1016/j.bmc.2022.117092. Epub 2022 Nov 17.
Bioorg Med Chem. 2022.
PMID: 36450167
Computational investigation of the radical-mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yields.
Somnarin T, Krawmanee P, Gleeson MP, Gleeson D.
Somnarin T, et al.
J Comput Chem. 2023 Feb 15;44(5):670-676. doi: 10.1002/jcc.27031. Epub 2022 Nov 18.
J Comput Chem. 2023.
PMID: 36398747
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