Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

The activity within a living cell is based on a complex network of interactions among
biomolecules, exchanging information and energy through biochemical processes. These …

Ab initio CASPT2//CASSCF relaxation path computations are employed to determine the
intrinsic (eg, in vacuo) mechanism underlying the rise and decay of the luminescence of the …

In this Perspective we discuss recent trends in the development and applications of
fluorescent proteins. We start by providing a historical and structural perspective of their …

The solvatochromic behavior of the green fluorescence protein (GFP) chromophore (p-
hydroxybenzylideneimidazolone, p-HBDI) and its derivatives (p …

We perform a thorough comparative investigation of the excitation energies of the anionic
and neutral forms of the green fluorescent protein (GFP) chromophore in the gas phase …

A “brute-force” ab initio CASPT2//CASSCF/CHARMM computational approach is employed
to investigate the properties of the emitting state of the wild-type green fluorescence protein …

Molecular switches based on E/Z photoisomerization have been used in different contexts in
order to control a variety of processes in different systems, from peptide conformation control …

We present an extensive investigation of the vertical excitations of the anionic and neutral
forms of wild-type green fluorescent protein using time-dependent density functional theory …

Housed within the 11-stranded β-barrel of the green fluorescent protein (GFP) is the
arylideneimidazolidinone (AMI) chromophore, the component responsible for fluorescence …