Journal Article (33)
1.
Journal Article
158 (3), 034303 , pp. 034303 -1 - 034303 -13 (2023)
Quantum-mechanical insights into the anisotropic response of the cryptochrome radical pair to a weak magnetic field. The Journal of Chemical Physics 2.
Journal Article
61 (8), pp. 3964 - 3977 (2021)
CHARMM force-field parameters for morphine, heroin, and oliceridine, and conformational dynamics of opioid drugs. Journal of Chemical Information and Modeling 3.
Journal Article
12, pp. 8263 - 8271 (2021)
Protonation states of molecular groups in the chromophore-binding site modulate properties of the reversibly switchable fluorescent protein rsEGFP2. The Journal of Physical Chemistry Letters 4.
Journal Article
372 (6538), eabd5687, pp. 1 - 13 (2021)
Mechanism and dynamics of fatty acid photodecarboxylase. Science 5.
Journal Article
97 (2), pp. 243 - 269 (2021)
Frontiers in multiscale modeling of photoreceptor proteins. Photochemistry and Photobiology 6.
Journal Article
22 (16), pp. 8535 - 8544 (2020)
Four resonance structures elucidate double-bond isomerisation of a biological chromophore. Physical Chemistry Chemical Physics 7.
Journal Article
10, 3177, pp. 1 - 17 (2019)
Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nature Communications 8.
Journal Article
207, pp. 9 - 26 (2018)
Spiers Memorial Lecture. Introductory lecture: the impact of structure on photoinduced processes in nucleic acids and proteins. Faraday Discussions 9.
Journal Article
23 (31), pp. 7526 - 7537 (2017)
Indications of 5' to 3' interbase electron transfer as the first step of pyrimidine dimer formation probed by a dinucleotide analog. Chemistry – A European Journal 10.
Journal Article
676, pp. 25 - 31 (2017)
Molecular mechanism of the dark-state recovery in BLUF photoreceptors. Chemical Physics Letters 11.
Journal Article
138 (13), pp. 4368 - 4376 (2016)
Singlehydrogen bond donation from flavin N5 to proximal asparagine ensures FAD reduction in DNA photolyase. Journal of the American Chemical Society 12.
Journal Article
6, 22669 , pp. 1 - 14 (2016)
Evidence for tautomerisation of glutamine in BLUF blue light receptors by vibrational spectroscopy and computational chemistry. Scientific Reports 13.
Journal Article
4, 3845, pp. 1 - 8 (2014)
Separation of photo-induced radical pair in cryptochrome to a functionally critical distance. Scientific Reports 14.
Journal Article
9 (10), pp. 4644 - 4652 (2013)
Challenges in computing electron-transfer energies of DNA repair using hybrid QM/MM models. Journal of Chemical Theory and Computation 15.
Journal Article
117 (10), pp. 2888 - 2897 (2013)
Glutamine rotamers in BLUF photoreceptors: a mechanistic reappraisal. Journal of Physical Chemistry B 16.
Journal Article
117 (8), pp. 2369 - 2377 (2013)
Photoinduced electron transfer facilitates tautomerization of the conserved signaling glutamine side chain in BLUF protein light sensors. Journal of Physical Chemistry B 17.
Journal Article
134 (43), pp. 18046 - 18052 (2012)
Decrypting cryptochrome: revealing the molecular identity of the photoactivation reaction. Journal of the American Chemical Society 18.
Journal Article
133 (45), pp. 18172 - 18182 (2011)
Neutral histidine and photoinduced electron transfer in DNA photolyases. Journal of the American Chemical Society 19.
Journal Article
115 (23), pp. 7621 - 7628 (2011)
Vibrational mode analysis of isotope-labeled electronically excited riboflavin. The Journal of Physical Chemistry B 20.
Journal Article
87 (3), pp. 564 - 573 (2011)
Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor. Photochemistry and Photobiology