Computational Investigations on Phycocyanobilin

Phycocyanobilin was computationally investigated by means of DFT calculations in combination with implicit solvation starting from X-ray data. Different conformations and degrees of protonation were considered, and the acidity constants were estimated. The computed data suggest a <i>syn</i&...

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Bibliographic Details
Main Authors: Matteo Gigli, Matteo Donati, Massimo Sgarzi, Marco Bortoluzzi
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Chemistry Proceedings
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Online Access:https://www.mdpi.com/2673-4583/16/1/13
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