Paper Citing NAMD - Abstract
Gamiz-Hernandez, Ana P.; Angelova, Iva Neycheva; Send, Robert; Sundholm, Dage; Kaila, Ville R. I.
Protein-Induced Color Shift of Carotenoids in beta-Crustacyanin
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54:11564-11566, SEP 21 2015
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.
