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Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods
Coto, Pedro B.; Martí Forés, Sergio; Oliva, Mónica; Olivucci, Massimo; Merchán, Manuela; Andres, Juan American Chemical Society (2008)We discuss the role of the protein in controlling the absorption spectra of photoactive yellow protein (PYP), the archetype xanthopsin photoreceptor, using quantum mechanics/molecular mechanics (QM/MM) methods based on ab ...