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Prodrugs of fumarate esters for the treatment of psoriasis and multiple sclerosis—a computational approach

Karaman, Rafik; Dokmak, Ghadeer; Bader, Maryam; Hallak, Hussein; Khamis, Mustafa; Scrano, Laura (pringer-Verlag, 2012-09-02)

Density functional theory (DFT) calculations at B3LYP/6-31 G (d,p) and B3LYP/6-311+G(d,p) levels for the substituted pyridine-catalyzed isomerization of monomethyl maleate revealed that isomerization proceeds via four ...