Spectroscopy in complex environments from QM–MM simulations

UN Morzan, DJ Alonso de Armino, NO Foglia… - Chemical …, 2018 - ACS Publications
The applications of multiscale quantum–classical (QM–MM) approaches have shown an
extraordinary expansion and diversification in the last couple of decades. A great proportion …

Green fluorescent protein: a perspective

SJ Remington - Protein Science, 2011 - Wiley Online Library
A brief personal perspective is provided for green fluorescent protein (GFP), covering the
period 1994–2011. The topics discussed are primarily those in which my research group …

Chromophore transformations in red fluorescent proteins

FV Subach, VV Verkhusha - Chemical reviews, 2012 - ACS Publications
1. INTRODUCTION The discovery of Anthozoa homologues of the green fluorescent protein
(GFP) from jellyfish Aequorea victoria, which emit not only green but also yellow, orange …

[HTML][HTML] Red fluorescent proteins: chromophore formation and cellular applications

A Miyawaki, DM Shcherbakova… - Current opinion in …, 2012 - Elsevier
In the last decade, a number of red fluorescent proteins (RFPs) that emit orange, red, and far-
red fluorescence have been isolated from anthozoans (corals), and developed through …

Protonation Isomer Specific Ion–Molecule Radical Reactions

OJ Shiels, SJP Marlton, AJ Trevitt - Journal of the American …, 2023 - ACS Publications
Through a combination of ion-mobility filtering and laser-equipped quadrupole ion–trap
mass spectrometry, the gas-phase reaction kinetics of two protonation isomers of the …

Local electric field controls fluorescence quantum yield of red and far-red fluorescent proteins

M Drobizhev, RS Molina, PR Callis, JN Scott… - Frontiers in Molecular …, 2021 - frontiersin.org
Genetically encoded probes with red-shifted absorption and fluorescence are highly
desirable for imaging applications because they can report from deeper tissue layers with …

Molecular-level insight into the spectral tuning mechanism of the DsRed chromophore

NH List, JMH Olsen, HJA Jensen… - The Journal of …, 2012 - ACS Publications
We present a detailed study of the protein environmental effects on the one-and two-photon
absorption (1PA and 2PA, respectively) properties of the S 0-S 1 transition in the DsRed …

Quantum-derived embedding schemes for local excitations

M Jansen, NN Thi Minh, ED Hedegård, C König - 2022 - books.rsc.org
Quantum-mechanical and classical embedding schemes both employ effective operators
that incorporate the environmental effects for local properties. Despite their common goal …

Emission sha** in fluorescent proteins: role of electrostatics and π-stacking

JW Park, YM Rhee - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
For many decades, simulating the excited state properties of complex systems has been an
intriguing but daunting task due to its high computational cost. Here, we apply molecular …

Spectral “fine” tuning in fluorescent proteins: The case of the GFP-like chromophore in the anionic protonation state

P Amat, R Nifosì - Journal of Chemical Theory and Computation, 2013 - ACS Publications
Fluorescent proteins (FPs), featuring the same chromophore but different chromophore–
protein interactions, display remarkable spectral variations even when the same …