[HTML][HTML] Deciphering photoreceptors through atomistic modeling from light absorption to conformational response

G Salvadori, P Mazzeo, D Accomasso… - Journal of molecular …, 2024 - Elsevier
In this review, we discuss the successes and challenges of the atomistic modeling of
photoreceptors. Throughout our presentation, we integrate explanations of the primary …

Protein control of photochemistry and transient intermediates in phytochromes

G Salvadori, V Macaluso, G Pellicci, L Cupellini… - Nature …, 2022 - nature.com
Phytochromes are ubiquitous photoreceptors responsible for sensing light in plants, fungi
and bacteria. Their photoactivation is initiated by the photoisomerization of the embedded …

Light-induced protein structural dynamics in bacteriophytochrome revealed by time-resolved x-ray solution scattering

SJ Lee, TW Kim, JG Kim, C Yang, SR Yun, C Kim… - Science …, 2022 - science.org
Bacteriophytochromes (BphPs) are photoreceptors that regulate a wide range of biological
mechanisms via red light–absorbing (Pr)–to–far-red light–absorbing (Pfr) reversible …

Energetic landscape and terminal emitters of phycobilisome cores from quantum chemical modeling

L Cupellini, M Gwizdala… - The Journal of Physical …, 2024 - ACS Publications
Phycobilisomes (PBs) are giant antenna supercomplexes of cyanobacteria that use
phycobilin pigments to capture sunlight and transfer the collected energy to membrane …

Analogies and differences in the photoactivation mechanism of bathy and canonical bacteriophytochromes revealed by multiscale modeling

G Salvadori, B Mennucci - The Journal of Physical Chemistry …, 2024 - ACS Publications
Bacteriophytochromes are light-sensing biological machines that switch between two
photoreversible states, Pr and Pfr. Their relative stability is opposite in canonical and bathy …

The impact of different geometrical restrictions on the nonadiabatic photoisomerization of biliverdin chromophores

Y Fang, H Huang, K Lin, C Xu, FL Gu… - Physical Chemistry …, 2022 - pubs.rsc.org
The photoisomerization mechanism of the chromophore of bacterial biliverdin (BV)
phytochromes is explored via nonadiabatic dynamics simulation by using the on-the-fly …

Long-Distance Protonation-Conformation Coupling in Phytochrome Species

M Sadeghi, J Balke, T Rafaluk-Mohr, U Alexiev - Molecules, 2022 - mdpi.com
Phytochromes are biological red/far-red light sensors found in many organisms. The
connection between photoconversion and the cellular output signal involves light-mediated …

Electrostatic profiling of photosynthetic pigments: implications for directed spectral tuning

A Sirohiwal, DA Pantazis - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Photosynthetic pigment–protein complexes harvest solar energy with a high quantum
efficiency. Protein scaffolds are known to tune the spectral properties of embedded pigments …

Significant impact of deprotonated status on the photoisomerization dynamics of bacteriophytochrome chromophore

H Huang, C Xu, K Lin, J Peng, FL Gu, Z Lan - Chinese Chemical Letters, 2023 - Elsevier
We report that the photoinduced dynamics of the phytochrome chromophore is strongly
dependent on the protonation/deprotonation states of the pyrrole ring. The on-the-fly surface …

Enhancing the inhomogeneous photodynamics of canonical bacteriophytochrome

J Rydzewski, K Walczewska-Szewc… - The Journal of …, 2022 - ACS Publications
The ability of phytochromes to act as photoswitches in plants and microorganisms depends
on interactions between a bilin-like chromophore and a host protein. The interconversion …