Bioluminescence is a phenomenon that has fascinated mankind for centuries. Today the
phenomenon and its sibling, chemiluminescence, have impacted society with a number of …

The chemical reactions underlying the emission of light in fireflies and other bioluminescent
beetles are some of the most thoroughly studied processes by scientists worldwide. Despite …

In this study, a series of di-O-caffeoylquinic acids (di-COQs) were systematically investigated
for their antioxidant and cytoprotective effects towards• OH-damaged bone marrow-derived …

This perspective article highlights the challenges in the theoretical description of
photoreceptor proteins using multiscale modeling, as discussed at the CECAM workshop in …

Bioluminescence imaging (BLI) is ubiquitous in scientific research for the sensitive tracking
of biological processes in small animal models. However, due to the attenuation of visible …

We present a protocol for the fully automated construction of quantum mechanical (QM)–
classical hybrid models by extending our previously reported approach on self …

Firefly bioluminescence is a quite efficient process largely used for numerous applications.
However, some fundamental photochemical properties of the light emitter are still to be …

We present a toolkit that allows for the preparation of QM/MM input files from a
conformational ensemble of molecular geometries. The package is currently compatible with …

The different colors of light emitted by bioluminescent beetles that use an identical substrate
and chemiexcitation reaction sequence to generate light remain a challenging and …

The understanding of the mechanism and dynamics of chemical processes requires the use
of quantum mechanical calculations. In fact, quantum mechanics (QM) is necessary for the …