retinoic acid binding protein II (CRABPII) with an all-trans retinal chromophore. Here, we
present a combined computational quantum mechanics/molecular mechanics (QM/MM) and
experimental ultrafast kinetic study of CRABPII. We employ the QM/MM models to study the
absorption (λamax), fluorescence (λfmax), and reactivity of a CRABPII triple mutant
incorporating the all-trans protonated chromophore (PSB-KLE-CRABPII). We also study the …