The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling† †Electronic supplementary information (ESI) available: RMSD analysis of the MDs; electronic coupling map; averaged absorption spectra of the three complexes; contributions to the BChl transitions from all close residues; functional benchmark on the H-bonded residue contribution; distribution of the V1αβ components along the MD; complete excitonic parameters; charge-trans

The spectral tuning of LH2 antenna complexes arises from H-bonding, acetyl torsion, and inter-chromophore couplings. The light-harvesting in photosynthetic purple bacteria can be tuned in response to the light conditions during cell growth. One of the used strategies is to change the energy of the e...

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Veröffentlicht in:	Chemical science (Cambridge) 2019-09, Vol.10 (42), p.9650-9662
Hauptverfasser:	Cardoso Ramos, Felipe, Nottoli, Michele, Cupellini, Lorenzo, Mennucci, Benedetta
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry
Online-Zugang:	Volltext
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