Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level
T Andruniów, N Ferré… - Proceedings of the …, 2004 - National Acad Sciences
We demonstrate that a “brute force” quantum chemical calculation based on an ab initio
multiconfigurational second order perturbation theory approach implemented in a quantum …
multiconfigurational second order perturbation theory approach implemented in a quantum …
First-principles characterization of the elusive I fluorescent state and the structural evolution of retinal protonated Schiff base in bacteriorhodopsin
The conversion of light energy into work is essential to life on earth. Bacteriorhodopsin (bR),
a light-activated proton pump in Archae, has served for many years as a model system for …
a light-activated proton pump in Archae, has served for many years as a model system for …
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping
Quantum mechanics/molecular mechanics calculations based on ab initio
multiconfigurational second order perturbation theory are employed to construct a computer …
multiconfigurational second order perturbation theory are employed to construct a computer …
Ultrafast photo-induced reaction dynamics in bacteriorhodopsin and its Trp mutants
This review paper presents the recent advances made in observing and understanding the
ultrafast photo-reaction dynamics in retinal proteins, in particular bacteriorhodopsin (bR) …
ultrafast photo-reaction dynamics in retinal proteins, in particular bacteriorhodopsin (bR) …
Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base
The potential energy surfaces and non-adiabatic dynamics of the C 5 H 6 NH 2+ protonated
Schiff base (PSB3) have been investigated using the OM2 semiempirical Hamiltonian with …
Schiff base (PSB3) have been investigated using the OM2 semiempirical Hamiltonian with …
The measurement of ultrashort light pulses—Simple devices, complex pulses
We review the state of the art of ultrashort-light-pulse measurement using frequency-
resolved-optical-gating (FROG). Recent developments have extended the state of the art …
resolved-optical-gating (FROG). Recent developments have extended the state of the art …
A Tiny Excited‐State Barrier Can Induce a Multiexponential Decay of the Retinal Chromophore: A Quantum Dynamics Investigation
M Olivucci, A Lami, F Santoro - … Chemie International Edition, 2005 - Wiley Online Library
The N-alkyl protonated Schiff base of retinal (PSBR) is the chromophore of rhodopsin
proteins,[1–3] a large class of transmembrane photoreceptors comprising the human retina …
proteins,[1–3] a large class of transmembrane photoreceptors comprising the human retina …
Heterogeneity and relaxation dynamics of the photoexcited retinal Schiff base cation in solution
We present steady-state and broadband femtosecond fluorescence spectra of the
protonated Schiff base of retinal in various protic and aprotic solvents, as a function of the …
protonated Schiff base of retinal in various protic and aprotic solvents, as a function of the …
Steady state emission of the fluorescent intermediate of Anabaena Sensory Rhodopsin as a function of light adaptation conditions
Steady-state fluorescence measurements of the first excited state of the anabaena sensory
rhodopsin (ASR), and Bacteriorhodopsin are reported for different light stabilization …
rhodopsin (ASR), and Bacteriorhodopsin are reported for different light stabilization …
Complex excited dynamics around a plateau on a retinal-like potential surface: chaos, multi-exponential decays and quantum/classical differences
F Santoro, A Lami, M Olivucci - Theoretical Chemistry Accounts, 2007 - Springer
We investigate the classical and quantum dynamics on the plateau of an excited potential
energy surface (PES) whose shape mimics the PES driving the photoisomerization of the …
energy surface (PES) whose shape mimics the PES driving the photoisomerization of the …