A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed protein

Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?

(2016) Atanu Acharya et al.   CHEMICAL REVIEWS

Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein

(2016) Jae Woo Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Turning On and Off Photoinduced Electron Transfer in Fluorescent Proteins by π-Stacking, Halide Binding, and Tyr145 Mutations

(2016) Alexey M. Bogdanov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins

(2015) Bella L. Grigorenko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

QM/MM studies reveal pathways leading to the quenching of the formation of thymine dimer photoproduct by flanking bases

(2015) Wook Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

KillerOrange, a Genetically Encoded Photosensitizer Activated by Blue and Green Light

(2015) Karen S. Sarkisyan et al.   PLoS One

Crystal Structure of Phototoxic Orange Fluorescent Proteins with a Tryptophan-Based Chromophore

(2015) Nadya V. Pletneva et al.   PLoS One

Chromophore Photoreduction in Red Fluorescent Proteins Is Responsible for Bleaching and Phototoxicity

(2014) Russell B. Vegh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures

(2014) Stefanie A. Bäppler et al.   PHYSICAL REVIEW A

Extreme electric fields power catalysis in the active site of ketosteroid isomerase

(2014) Stephen D. Fried et al.   SCIENCE

Proton-coupled electron transfer: classification scheme and guide to theoretical methods

(2012) Sharon Hammes-Schiffer   Energy & Environmental Science

Autofluorescent Proteins as Photosensitizer in Eukaryontes

(2012) Waldemar Waldeck et al.   International Journal of Medical Sciences

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

(2012) Felix Plasser et al.   Journal of Chemical Theory and Computation

Reactive oxygen species in photochemistry of the red fluorescent protein “Killer Red”

(2011) Russell B. Vegh et al.   CHEMICAL COMMUNICATIONS

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fluorescent proteins as light-inducible photochemical partners

(2010) Konstantin A. Lukyanov et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Diffusion pathways of oxygen species in the phototoxic fluorescent protein KillerRed

(2010) Arijit Roy et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Structural basis for the phototoxicity of the fluorescent protein KillerRed

(2009) Philippe Carpentier et al.   FEBS LETTERS

Structural Basis for Phototoxicity of the Genetically Encoded Photosensitizer KillerRed

(2009) Sergei Pletnev et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective†

(2009) Gustavo de M. Seabra et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations†

(2009) Johannes Kästner et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Targeting cancer cells by using an antireceptor antibody-photosensitizer fusion protein

(2009) E. O. Serebrovskaya et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting Thymine Dimerization Yields from Molecular Dynamics Simulations

(2008) Yu Kay Law et al.   BIOPHYSICAL JOURNAL

Statistically optimal analysis of samples from multiple equilibrium states

(2008) Michael R. Shirts et al.   JOURNAL OF CHEMICAL PHYSICS