ArticleNature chemistry2022
Quantum-classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency.
Article in Nature chemistry, 2022. 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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20 citing papers in PubMed, 60 citations in OpenAlex.
- Natural and engineered charge-transfer and diradical state mixing and retinal chromophore dynamics.Physical chemistry chemical physics : PCCP · 2026Review
- Diverging pH dependence and photocycle dynamics across members of the CryoRhodopsin clade.Biophysical journal · 2026Article
- Photochemistry of an Anti-Bredt Olefin through the Lens of Multistate Multireference Quantum Chemistry.Journal of the American Chemical Society · 2026Article
- Dark-State-Mediated Efficient Energy Trapping in a Model GFP Chromophore.Journal of the American Chemical Society · 2026Article
- Structural analysis of rhodopsin states in megabody complexes.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Impact of solvation on the photoisomerization mechanism of oxindole switches with electron-donating substituents.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2026Article
- Advances in NIR-II Fluorescence Laparoscopy for Precision Diagnosis and Theranostics of Urological Oncology.International journal of nanomedicine · 2026Review
- A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments.Journal of chemical information and modeling · 2025Article
- Reversible single crystal photochemistry and spin state switching in a metal-cyanide complex.Nature communications · 2025Article
- Multistep 11-Journal of the American Chemical Society · 2025Article
- Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials.Digital discovery · 2025Article
- Tuning Two-Photon Absorption in Rhodopsin Chromophore via Backbone Modification: The Story Told by CC2 and TD-DFT.Journal of chemical theory and computation · 2024Article
- In-silico predicted mouse melanopsins with blue spectral shifts deliver efficient subcellular signaling.Cell communication and signaling : CCS · 2024Article
- 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
- Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency.Nature communications · 2024Article
- The OpenMolcasJournal of chemical theory and computation · 2023Article
- Article
- Rhodopsin driven microbial COEnvironmental microbiology · 2023Article
- Torsionally broken symmetry assists infrared excitation of biomimetic charge-coupled nuclear motions in the electronic ground state.Chemical science · 2022Article
- Rhodopsins: An Excitingly Versatile Protein Species for Research, Development and Creative Engineering.Frontiers in chemistry · 2022Review
Corrections and comments
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Authors and funding
6 authors at 5 institutions in 4 countries.
Funding
Abstract
The activation of rhodopsin, the light-sensitive G-protein-coupled receptor responsible for dim-light vision in vertebrates, is driven by an ultrafast excited-state double-bond isomerization with a quantum efficiency of almost 70%. The origin of such light sensitivity is not understood and a key question is whether in-phase nuclear motion controls the quantum efficiency value. In this study we used hundreds of quantum-classical trajectories to show that, 15 fs after light absorption, a degeneracy between the reactive excited state and a neighbouring state causes the splitting of the rhodopsin population into subpopulations. These subpopulations propagate with different velocities and lead to distinct contributions to the quantum efficiency. We also show here that such splitting is modulated by protein electrostatics, thus linking amino acid sequence variations to quantum efficiency modulation. Finally, we discuss how such a linkage that in principle could be exploited to achieve higher quantum efficiencies would simultaneously increase the receptor thermal noise leading to a trade-off that may have played a role in rhodopsin evolution.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.