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Study on molecular structure, spectroscopic properties (FTIR and UV-Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer.
Almeida MO, Barros DAS, Araujo SC, Faria SHDM, Maltarollo VG, Honorio KM. Almeida MO, et al. Among authors: maltarollo vg. Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 5;184:169-176. doi: 10.1016/j.saa.2017.04.070. Epub 2017 Apr 27. Spectrochim Acta A Mol Biomol Spectrosc. 2017. PMID: 28494379
Machine learning techniques and drug design.
Gertrudes JC, Maltarollo VG, Silva RA, Oliveira PR, Honório KM, da Silva AB. Gertrudes JC, et al. Among authors: maltarollo vg. Curr Med Chem. 2012;19(25):4289-97. doi: 10.2174/092986712802884259. Curr Med Chem. 2012. PMID: 22830342 Review.
79 results