Molecular associations between LUMIFLAVINE (cas 1088-56-8) and some β-carbolines

Add time:08/13/2019    Source:sciencedirect.com

The molecular associations between a model flavine and three substituted β-carbolines are calculated using a pair potential approach proposed by Fraga. Stacked minima found through a crossed search procedure are analized and some structural and energetic properties related to the saturation of pyridine-like ring of β-carboline are discussed.

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