期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 54, 期 39, 页码 11564-11566出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201501609
关键词
biochromophores; computational chemistry; crustacyanin; quantum chemsitry; spectral tuning
资金
- Academy of Finland project [137460, 266227]
- Computational Science Research Programme [LASTU/258258]
- Magnus Ehrnrooth
- Jane foundation
- Aatos Erkko foundation
- Academy of Finland (AKA) [266227, 137460] Funding Source: Academy of Finland (AKA)
beta-Crustacyanin (beta-CR) is a pigment protein responsible for the blue color of lobsters. We show using correlated ab initio calculations how the protein environment tunes the chromophores of beta-CR through electrostatic and steric effects.
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