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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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
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| Series: | Chemistry Proceedings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4583/16/1/13 |
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