Mixed quantum mechanical/molecular mechanical molecular dynamics simulations of biological systems in ground and electronically excited states
The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …
including the rearrangements of electrons in biochemical reactions, electron and proton …
Theory and simulation of the ultrafast double-bond isomerization of biological chromophores
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 …
the light-to-energy conversion and the initialization of photoresponsive biological functions …
Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser
INTRODUCTION Retinal is a light-sensitive protein ligand that is used by all domains of life
to process the information and energy content of light. Retinal-binding proteins are integral …
to process the information and energy content of light. Retinal-binding proteins are integral …
Serial femtosecond crystallography reveals that photoactivation in a fluorescent protein proceeds via the hula twist mechanism
Chromophore cis/trans photoisomerization is a fundamental process in chemistry and in the
activation of many photosensitive proteins. A major task is understanding the effect of the …
activation of many photosensitive proteins. A major task is understanding the effect of the …
Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin
G Nass Kovacs, JP Colletier, ML Grünbein… - Nature …, 2019 - nature.com
Bacteriorhodopsin (bR) is a light-driven proton pump. The primary photochemical event
upon light absorption is isomerization of the retinal chromophore. Here we used time …
upon light absorption is isomerization of the retinal chromophore. Here we used time …
Functions, therapeutic applications, and synthesis of retinoids and carotenoids
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 …
human body. 1 It plays key roles in many physiological processes such as vision …
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
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 …
spectroscopic properties of its retinal chromophore, is a prerequisite for the rational design …
Multiple retinal isomerizations during the early phase of the bestrhodopsin photoreaction
Bestrhodopsins constitute a class of light-regulated pentameric ion channels that consist of
one or two rhodopsins in tandem fused with bestrophin ion channel domains. Here, we …
one or two rhodopsins in tandem fused with bestrophin ion channel domains. Here, we …
Map** atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution
The long held objective of directly observing atomic motions during the defining moments of
chemistry has been achieved based on ultrabright electron sources that have given rise to a …
chemistry has been achieved based on ultrabright electron sources that have given rise to a …
First-principles characterization of the elusive I fluorescent state and the structural evolution of retinal protonated Schiff base in bacteriorhodopsin
The conversion of light energy into work is essential to life on earth. Bacteriorhodopsin (bR),
a light-activated proton pump in Archae, has served for many years as a model system for …
a light-activated proton pump in Archae, has served for many years as a model system for …