Microbial and animal rhodopsins: structures, functions, and molecular mechanisms

OP Ernst, DT Lodowski, M Elstner, P Hegemann… - Chemical …, 2014 - ACS Publications
Organisms of all domains of life use photoreceptor proteins to sense and respond to light.
The light-sensitivity of photoreceptor proteins arises from bound chromophores such as …

Theory and simulation of the ultrafast double-bond isomerization of biological chromophores

S Gozem, HL Luk, I Schapiro, M Olivucci - Chemical reviews, 2017 - ACS Publications
Ultrafast processes in light-absorbing proteins have been implicated in the primary step in
the light-to-energy conversion and the initialization of photoresponsive biological functions …

Functions, therapeutic applications, and synthesis of retinoids and carotenoids

R Alvarez, B Vaz, H Gronemeyer, AR de Lera - Chemical reviews, 2014 - ACS Publications
Vitamin A (all-trans-retinol, 1, Figure 1) is considered the most multifunctional vitamin in the
human body. 1 It plays key roles in many physiological processes such as vision …

Roadmap on dynamics of molecules and clusters in the gas phase

H Zettergren, A Domaracka, T Schlathölter… - The European Physical …, 2021 - Springer
This roadmap article highlights recent advances, challenges and future prospects in studies
of the dynamics of molecules and clusters in the gas phase. It comprises nineteen …

[HTML][HTML] Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems

JMH Olsen, S Reine, O Vahtras, E Kjellgren… - The Journal of …, 2020 - pubs.aip.org
The Dalton Project provides a uniform platform access to the underlying full-fledged
quantum chemistry codes Dalton and LSDalton as well as the PyFraME package for …

Red-shifting mutation of light-driven sodium-pump rhodopsin

K Inoue, M del Carmen Marín, S Tomida… - Nature …, 2019 - nature.com
Microbial rhodopsins are photoreceptive membrane proteins that transport various ions
using light energy. While they are widely used in optogenetics to optically control neuronal …

Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes

BM Bold, M Sokolov, S Maity, M Wanko… - Physical Chemistry …, 2020 - pubs.rsc.org
The chromophores of rhodopsins (Rh) and light-harvesting (LH) complexes still represent a
major challenge for a quantum chemical description due to their size and complex electronic …

Theoretical studies on the color-tuning mechanism in retinal proteins

K Fujimoto, S Hayashi, J Hasegawa… - Journal of chemical …, 2007 - ACS Publications
The excited states of the three retinal proteins, bovine rhodopsin (Rh), bacteriorhodopsin
(bR), and sensory rhodopsin II (sRII) were studied using the symmetry-adapted cluster …

Intrinsic photoisomerization dynamics of protonated Schiff-base retinal

HV Kiefer, E Gruber, J Langeland, PA Kusochek… - Nature …, 2019 - nature.com
The retinal protonated Schiff-base (RPSB) in its all-trans form is found in bacterial
rhodopsins, whereas visual rhodopsin proteins host 11-cis RPSB. In both cases …

Modeling the excited states of biological chromophores within many-body green's function theory

Y Ma, M Rohlfing, C Molteni - Journal of Chemical Theory and …, 2010 - ACS Publications
First-principle many-body Green's function theory (MBGFT) has been successfully used to
describe electronic excitations in many materials, from bulk crystals to nanoparticles. Here …