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

We introduce a quantum mechanics/molecular mechanics semiclassical method for studying
the solvation process of molecules in water at the nuclear quantum mechanical level with …

In this work, we present the first implementation of coupled-trajectory Tully surface hopping
(CT-TSH) suitable for applications to molecular systems. We combine CT-TSH with the …

Orange Carotenoid Protein (OCP) is a ketocarotenoid-binding protein essential for
photoprotection in cyanobacteria. The main steps of the photoactivated conversion which …

The excited-state dynamics of molecules embedded in complex (bio) matrices is still a
challenging goal for quantum chemical models. Hybrid QM/MM models have proven to be …

Photoproteins, luminescent proteins or optoproteins are a kind of light-response protein
responsible for the conversion of light into biochemical energy that is used by some bacteria …

Chiral nanomaterials with different functions have been widely developed, but the deep
understanding of the structural effects of nanocatalysts on enantioselective photocatalytic …

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

Cyanobacteriochromes (CBCRs) are members of the phytochrome superfamily of
photosensor proteins that bind a bilin chromophore. CBCRs exhibit substantial diversity in …

Phytochromes constitute a family of photosensory proteins that are utilized by various
organisms to regulate several physiological processes. Phytochromes bind a bilin pigment …