• Electronic circular dichroism of fluorescent proteins: A computational study 

      Pikulska, Anna; Steindal, Arnfinn Hykkerud; Beerepoot, Maarten; Pecul, Magdalena (Journal article; Tidsskriftartikkel; Peer reviewed, 2015-02-03)
      The electronic circular dichroism (ECD) properties of the green fluorescent protein and other fluorescent proteins have been calculated with density functional theory. The influence of different embedding models on the ECD signal of the chromophore has been investigated by modeling the protein environment by the polarizable continuum model (QM/PCM), by the polarizable embedding model (PE-QM/MM), by ...