Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJ

Carbon Atoms Speaking Out: How the Geometric Sensitivity of <sup>13</sup>C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and AnPixJ

We present a combined quantum mechanics/molecular mechanics (QM/MM) molecular dynamics–statistical approach for the interpretation of nuclear magnetic resonance (NMR) chemical shift patterns in phycocyanobilin (PCB). These were originally associated with colour tuning upon photoproduct formation in...

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Bibliographic Details
Main Authors: Sascha Jähnigen, Daniel Sebastiani
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Molecules
Subjects:
protein NMR
theoretical spectroscopy
phycocyanobilin
π-conjugation
colour tuning
multivariate statistics
Online Access:https://www.mdpi.com/1420-3049/25/23/5505

Internet

https://www.mdpi.com/1420-3049/25/23/5505

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