Articles with "energetic structural" as a keyword



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A quantum chemical study of the interactions of uracil as a constituent of ribonucleic acid (RNA) with thiazolidinedione and rhodanine bioactive molecules: an insight into energetic and structural features

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Published in 2017 at "Structural Chemistry"

DOI: 10.1007/s11224-017-1062-4

Abstract: In this study, the biologically active configurations composed of Thiazolidinedione–Uracil (TU) and Rhodanine–Uracil (RU) have been fully investigated from the energetic and structural points of view, employing B3LYP and M062X functionals in combination with the… read more here.

Keywords: energetic structural; energy; study; interaction energy ... See more keywords