The function of light-harvesting complexes is determined by a complex network of dynamic
interactions among all the different components: the aggregate of pigments, the protein, and …

In this review, we discuss the successes and challenges of the atomistic modeling of
photoreceptors. Throughout our presentation, we integrate explanations of the primary …

Phytochromes are ubiquitous photoreceptors responsible for sensing light in plants, fungi
and bacteria. Their photoactivation is initiated by the photoisomerization of the embedded …

Phytochromes belong to a group of photoreceptor proteins containing a covalently bound
biliverdin chromophore that inter-converts between two isomeric forms upon photoexcitation …

We report a joined experimental and computational study of Raman and Resonance Raman
spectra of amides in aqueous solution. By employing state-of-the-art QM/MM methods …

Phytochromes are red-light sensing proteins, with important light-regulatory roles in different
organisms, which are capturing an increasing interest in bioimaging and optogenetics. Upon …

Bacteriophytochromes are light-sensing biological machines that switch between two
photoreversible states, Pr and Pfr. Their relative stability is opposite in canonical and bathy …

Infrared fluorescent proteins (iRFPs) are potential candidates for deep-tissue in vivo
imaging. Here, we provide molecular-level insights into the role of the protein environment in …

Based on a linearization approximation coupled with path integral formalism, we propose a
method derived from the propagation of quasi-classical trajectories to simulate resonance …

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 …