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 …

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

We present a computational investigation of the absorption spectrum in water of 5, 5-
spirocyclopropyl-oxyluciferin (5, 5-CprOxyLH), an analogue of the emitter compound …

Engineering nonribosomal peptide synthetases (NRPSs) has been a “holy grail” in synthetic
biology due to their modular nature and limited understanding of catalytic mechanisms …

Time-dependent density functional theory (TDDFT) based approaches have been
developed in recent years to model the excited-state properties and transition processes of …

Theoretical determinations of absorption cross sections (σ) in the gas phase and molar
extinction coefficients (ε) in condensed phases (water solution, interfaces or surfaces …

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 …

Fungal bioluminescence is a fascinating natural process, standing out for the continuous
conversion of chemical energy into light. The structure of fungal oxyluciferin (light emitter) …

Among numerous bioluminescent organisms, firefly is the most studied one. Recent
experiment proposed that sulfoluciferin (SLH2) may serve as a storage form of luciferin …

Different fungi lineages are known to emit light on Earth, mainly in tropical climates.
Although the preparation of bioluminescent cell-free extracts allowed one to characterize the …