Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

Marius Wanko; Pablo García-Risueño; Angel Rubio

doi:10.1002/pssb.201100536

Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

physica status solidi (b) ◽

10.1002/pssb.201100536 ◽

2011 ◽

Vol 249 (2) ◽

pp. 392-400 ◽

Cited By ~ 24

Author(s):

Marius Wanko ◽

Pablo García-Risueño ◽

Angel Rubio

Keyword(s):

Green Fluorescent Protein ◽

Ab Initio ◽

Excited States ◽

Fluorescent Protein ◽

Empirical Methods ◽

Green Fluorescent ◽

Semi Empirical

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Ab Initio Molecular Dynamics of the Green Fluorescent Protein (GFP) Chromophore: An Insight into the Photoinduced Dynamics of Green Fluorescent Proteins

The Journal of Physical Chemistry B ◽

10.1021/jp010052q ◽

2001 ◽

Vol 105 (24) ◽

pp. 5797-5803 ◽

Cited By ~ 39

Author(s):

Valentina Tozzini ◽

Riccardo Nifosì

Keyword(s):

Molecular Dynamics ◽

Green Fluorescent Protein ◽

Ab Initio ◽

Fluorescent Protein ◽

Fluorescent Proteins ◽

Ab Initio Molecular Dynamics ◽

Green Fluorescent Proteins ◽

Gfp Chromophore ◽

Green Fluorescent ◽

Insight Into

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Renilla reniformis bioluminescence: luciferase-catalyzed production of nonradiating excited states from luciferin analogs and elucidation of the excited state species involved in energy transfer to Renilla green fluorescent protein

Biochemistry ◽

10.1021/bi00578a011 ◽

1979 ◽

Vol 18 (11) ◽

pp. 2204-2210 ◽

Cited By ~ 47

Author(s):

Russell C. Hart ◽

John C. Matthews ◽

Kazuo Hori ◽

Milton J. Cormier

Keyword(s):

Energy Transfer ◽

Excited State ◽

Green Fluorescent Protein ◽

Excited States ◽

Fluorescent Protein ◽

Renilla Reniformis ◽

Green Fluorescent

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A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics

Frontiers in Molecular Biosciences ◽

10.3389/fmolb.2020.569990 ◽

2020 ◽

Vol 7 ◽

Author(s):

Federico Coppola ◽

Fulvio Perrella ◽

Alessio Petrone ◽

Greta Donati ◽

Nadia Rega

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Green Fluorescent Protein ◽

Ab Initio ◽

Fluorescent Protein ◽

Ab Initio Molecular Dynamics ◽

Green Fluorescent ◽

Hydrogen Bond Dynamics

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Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?

Journal of Chemical Theory and Computation ◽

10.1021/ct900227j ◽

2009 ◽

Vol 5 (8) ◽

pp. 2074-2087 ◽

Cited By ~ 115

Author(s):

Claudia Filippi ◽

Maurizio Zaccheddu ◽

Francesco Buda

Keyword(s):

Absorption Spectrum ◽

Green Fluorescent Protein ◽

Ab Initio ◽

Fluorescent Protein ◽

Difficult Case ◽

Ab Initio Methods ◽

Green Fluorescent

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The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics

Chemical Science ◽

10.1039/c7sc02803b ◽

2018 ◽

Vol 9 (5) ◽

pp. 1126-1135 ◽

Cited By ~ 13

Author(s):

Greta Donati ◽

Alessio Petrone ◽

Pasquale Caruso ◽

Nadia Rega

Keyword(s):

Excited State ◽

Green Fluorescent Protein ◽

Ab Initio ◽

Frequency Domain ◽

Fluorescent Protein ◽

Vibrational Analysis ◽

Time Resolved ◽

Green Fluorescent ◽

New Time

A new time-resolved vibrational analysis unveils the mechanism of an excited state proton shuttle in green fluorescent protein.

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Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00980 ◽

2020 ◽

Vol 16 (8) ◽

pp. 5174-5188

Author(s):

Xinsheng Jin ◽

William J. Glover ◽

Xiao He

Keyword(s):

Green Fluorescent Protein ◽

Excited States ◽

Fluorescent Protein ◽

Quantum Mechanical ◽

Mechanical Method ◽

Quantum Mechanical Method ◽

Green Fluorescent

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Chromophore Protonation States and the Proton Shuttle Mechanism in Green Fluorescent Protein: Inferences Drawn from ab Initio Theoretical Studies of Chemical Structures and Vibrational Spectra†

The Journal of Physical Chemistry B ◽

10.1021/jp003683d ◽

2001 ◽

Vol 105 (14) ◽

pp. 2850-2857 ◽

Cited By ~ 20

Author(s):

Hi-Young Yoo ◽

J. A. Boatz ◽

Volkhard Helms ◽

J. Andrew McCammon ◽

Peter W. Langhoff

Keyword(s):

Green Fluorescent Protein ◽

Ab Initio ◽

Vibrational Spectra ◽

Fluorescent Protein ◽

Theoretical Studies ◽

Chemical Structures ◽

Green Fluorescent

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First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.02.035 ◽

2012 ◽

Vol 990 ◽

pp. 185-193 ◽

Cited By ~ 7

Author(s):

Hong Zhang ◽

Qiao Sun ◽

Zhen Li ◽

Shinkoh Nanbu ◽

Sean S. Smith

Keyword(s):

Green Fluorescent Protein ◽

Proton Transfer ◽

Ab Initio ◽

Cluster Model ◽

Fluorescent Protein ◽

First Principle ◽

Green Fluorescent

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Structure and rotation barriers for ground and excited states of the isolated chromophore of the green fluorescent protein

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01035-5 ◽

1998 ◽

Vol 296 (3-4) ◽

pp. 269-276 ◽

Cited By ~ 69

Author(s):

Alexander A. Voityuk ◽

Maria-Elisabeth Michel-Beyerle ◽

Notker Rösch

Keyword(s):

Green Fluorescent Protein ◽

Excited States ◽

Fluorescent Protein ◽

Green Fluorescent

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Real-time imaging of steroid hormone receptor and steroid receptor coactivator-1 in living cells with color variants of green fluorescent protein

Neuroscience Research ◽

10.1016/s0168-0102(00)81227-4 ◽

2000 ◽

Vol 38 ◽

pp. S63

Author(s):

M Nishi

Keyword(s):

Green Fluorescent Protein ◽

Real Time ◽

Hormone Receptor ◽

Fluorescent Protein ◽

Steroid Hormone ◽

Living Cells ◽

Steroid Hormone Receptor ◽

Steroid Receptor Coactivator ◽

Green Fluorescent ◽

Color Variants

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