ArticleThe journal of physical chemistry letters2024
Analogies and Differences in the Photoactivation Mechanism of Bathy and Canonical Bacteriophytochromes Revealed by Multiscale Modeling.
Article in The journal of physical chemistry letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- Using Computational Techniques for the Characterization of Structural Changes During the Phytochrome Photocycle.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Chemical Mechanism of Allosteric and Asymmetric Dark Reversion in a Bacterial Phytochrome Uncovered by Cryo-EM.Journal of the American Chemical Society · 2025Article
- Traits of Bathy Phytochromes and Application to Bacterial Optogenetics.ACS synthetic biology · 2025Article
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2 authors.
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Abstract
Bacteriophytochromes are light-sensing biological machines that switch between two photoreversible states, Pr and Pfr. Their relative stability is opposite in canonical and bathy bacteriophytochromes, but in both cases the switch between them is triggered by the photoisomerization of an embedded bilin chromophore. We applied an integrated multiscale strategy of excited-state QM/MM nonadiabatic dynamics and (QM/)MM molecular dynamics simulations with enhanced sampling techniques to the
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