The review presents a bird-eye view on the state of research in the field of giant
nonbiological discrete metal complexes and ions of nanometer size, which are structurally …

Metalloproteins catalyze a range of reactions, with enhanced chemical functionality due to
their metal cofactor. The reaction mechanisms of metalloproteins have been experimentally …

Hydrogen bonding, bond polarity, and charges in protein molecules play critical roles in the
stabilization of protein structures, as well as affecting their functions such as enzymatic …

Double-bond photoisomerization in molecules such as the green fluorescent protein (GFP)
chromophore can occur either via a volume-demanding one-bond-flip pathway or via a …

The search for fluorescent proteins with large two-photon absorption (TPA) cross-sections
and improved brightness is required for their efficient use in bioimaging. Here, we explored …

The neutral or A state of the green fluorescent protein (GFP) chromophore is a remarkable
example of a photoacid naturally embedded in the protein environment and accounts for the …

We present the results of high-level electronic structure and dynamics simulations of the
photoactive protein Dreiklang. With the goal of understanding the details of the Dreiklang …

Macromolecular crystallography (MX) is the dominant means of determining the three-
dimensional structures of biological macromolecules, but the method has reached a critical …

The photophysical properties of fluorescent proteins, including phototransformable variants
used in advanced microscopy applications, are influenced by the environmental conditions …

Much of the success of deep learning is drawn from building architectures that properly
respect underlying symmetry and structure in the data on which they operate-a set of …