Jean Deviers
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View article: Computational study of heme <i>b</i> <sub>595</sub> to heme <i>d</i> electron transfer in E. coli cytochrome <i>bd</i>-I oxidase
Computational study of heme <i>b</i> <sub>595</sub> to heme <i>d</i> electron transfer in E. coli cytochrome <i>bd</i>-I oxidase Open
Cytochrome bd is a distinctive family of terminal oxidases present in the respiratory chains of many prokaryotes. Despite its biological importance, the redox chemistry of these proteins remains poorly understood, largely due to the presen…
Magnetic field effects in the reoxidation of avian cryptochrome: a computational exploration Open
Biological magnetoreception, a sensory modality most notably exhibited by migratory birds, is one of the most intriguing yet still poorly understood phenomena of the emerging field of quantum biology. Thought to arise from the quantum spin…
Observations about utilitarian coherence in the avian compass Open
It is hypothesised that the avian compass relies on spin dynamics in a recombining radical pair. Quantum coherence has been suggested as a resource to this process that nature may utilise to achieve increased compass sensitivity. To date, …
View article: <i>Ab initio</i> derivation of flavin hyperfine interactions for the protein magnetosensor cryptochrome
<i>Ab initio</i> derivation of flavin hyperfine interactions for the protein magnetosensor cryptochrome Open
We explore the sources of variations of hyperfine coupling constant for flavin radicals in avian cryptochromes.
View article: Anisotropic magnetic field effects in the re-oxidation of cryptochrome in the presence of scavenger radicals
Anisotropic magnetic field effects in the re-oxidation of cryptochrome in the presence of scavenger radicals Open
The avian compass and many other of nature’s magnetoreceptive traits are widely ascribed to the protein cryptochrome. There, magnetosensitivity is thought to emerge as the spin dynamics of radicals in the applied magnetic field enters in c…
Observations about utilitarian coherence in the avian compass Open
It is hypothesised that the avian compass relies on spin dynamics in a recombining radical pair. Quantum coherence has been suggested as a resource to this process that nature may utilise to achieve increased compass sensitivity. To date, …
Nonlinear optical responses of self-assembled monolayers functionalized with indolino–oxazolidine photoswitches Open
The second harmonic generation responses of photoresponsive self-assembled monolayers based on indolino–oxazolidine derivatives are computed using a sequential MD/DFT approach.