The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …

The first member and eponym of the rhodopsin family was identified in the 1930s as the
visual pigment of the rod photoreceptor cell in the animal retina. It was found to be a …

The understanding of how the rhodopsin sequence can be modified to exactly modulate the
spectroscopic properties of its retinal chromophore, is a prerequisite for the rational design …

We present a computational protocol for the fast and automated screening of excited-state
hybrid quantum mechanics/molecular mechanics (QM/MM) models of rhodopsins to be used …

iLOV is an engineered flavin-binding fluorescent protein (FbFP) with applications for in vivo
cellular imaging. To expand the range of applications of FbFPs for multicolor imaging and …

Rhodopsins are light-responsive proteins forming two vast and evolutionary distinct
superfamilies whose functions are invariably triggered by the photoisomerization of a single …

X-ray crystallography is an important technique to determine the positions of atoms in a
protein crystal. However, because the native environment in which proteins function, is not a …

The automatic rhodopsin modeling (ARM) approach is a computational workflow devised for
the automatic buildup of hybrid quantum mechanics/molecular mechanics (QM/MM) models …

Melanopsin is a photopigment belonging to the G Protein-Coupled Receptor (GPCR) family
expressed in a subset of intrinsically photosensitive retinal ganglion cells (ipRGCs) and …

The resource theory of quantum thermodynamics has emerged as a powerful tool for
exploring the out-of-equilibrium dynamics of microscopic and highly correlated systems …