ArticleProceedings of the National Academy of Sciences of the United States of America2010
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
- Multistep 11-Journal of the American Chemical Society · 2025Article
- Ultrafast terahertz Stark spectroscopy reveals the excited-state dipole moments of retinal in bacteriorhodopsin.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Collective chiroptical activity through the interplay of excitonic and charge-transfer effects in localized plasmonic fields.Nature communications · 2024Article
- Multiple retinal isomerizations during the early phase of the bestrhodopsin photoreaction.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.Journal of the American Chemical Society · 2023Article
- Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin.Nature communications · 2022Article
- Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.Nature communications · 2022Article
- Photoinduced isomerization sampling of retinal in bacteriorhodopsin.PNAS nexus · 2022Article
- Control of Protonated Schiff Base Excited State Decay within Visual Protein Mimics: A Unified Model for Retinal Chromophores.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- Light-Induced Conformational Alterations in Heliorhodopsin Triggered by the Retinal Excited State.The journal of physical chemistry. B · 2021Article
- Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X-Ray Absorption Spectroscopy.Angewandte Chemie (International ed. in English) · 2020Article
- Computational and Spectroscopic Characterization of the Photocycle of an Artificial Rhodopsin.The journal of physical chemistry letters · 2020Article
- Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry.The journal of physical chemistry letters · 2020Article
- Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.Nature communications · 2019Article
- QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra.Molecules (Basel, Switzerland) · 2019Article
- Schiff Base Proton Acceptor Assists Photoisomerization of Retinal Chromophores in Bacteriorhodopsin.Biophysical journal · 2017Article
- Molecular bases for the selection of the chromophore of animal rhodopsins.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Nonadiabatic photodynamics of a retinal model in polar and nonpolar environment.The journal of physical chemistry. A · 2013Article
- QM/MM study of the structure, energy storage, and origin of the bathochromic shift in vertebrate and invertebrate bathorhodopsins.Journal of the American Chemical Society · 2011Article
- Vibrational motions associated with primary processes in bacteriorhodopsin studied by coherent infrared emission spectroscopy.Biophysical journal · 2011Article
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4 authors.
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Abstract
Quantum mechanics/molecular mechanics calculations based on ab initio multiconfigurational second order perturbation theory are employed to construct a computer model of Bacteriorhodopsin that reproduces the observed static and transient electronic spectra, the dipole moment changes, and the energy stored in the photocycle intermediate K. The computed reaction coordinate indicates that the isomerization of the retinal chromophore occurs via a complex motion accounting for three distinct regimes: (i) production of the excited state intermediate I, (ii) evolution of I toward a conical intersection between the excited state and the ground state, and (iii) formation of K. We show that, during stage ii, a space-saving mechanism dominated by an asynchronous double bicycle-pedal deformation of the C10═C11─C12═C13─C14═N moiety of the chromophore dominates the isomerization. On this same stage a N─H/water hydrogen bond is weakened and initiates a breaking process that is completed during stage iii.
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