Simulation data for “Time-resolved fluorescence anisotropy and molecular dynamics analysis of a novel GFP homo-FRET dimer” Biophys. J. 120, 254–269 (2021)

Alessandro Crnjar; Carla Molteni; Yurema Teijeiro Gonzalez; Klaus Suhling

doi:10.18742/RDM01-638

Simulation data for “Time-resolved fluorescence anisotropy and molecular dynamics analysis of a novel GFP homo-FRET dimer” Biophys. J. 120, 254–269 (2021)

Alessandro Crnjar, Carla Molteni, Yurema Teijeiro Gonzalez, Klaus Suhling

Research output: Other contribution

Abstract

In this work, molecular dynamics simulations were carried out to study the dynamical properties of a monomer and a dimer of green fluorescent protein (GFP) in order to provide an in-silico validation of FRET (Förster resonance energy transfer) efficiency, calculated from the fit of the fluorescence anisotropy decays with a stretched exponential decay model. An excellent agreement was found between model and experiments. Dynamical insights on the dimer linker and on the protein tumbling were also obtained from the simulations. The molecular dynamics data are provided here.

Original language	English
Type	Research Data
DOIs	https://doi.org/10.18742/RDM01-638
Publication status	Published - 2021

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10.18742/RDM01-638Licence: CC BY

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title = "Simulation data for “Time-resolved fluorescence anisotropy and molecular dynamics analysis of a novel GFP homo-FRET dimer” Biophys. J. 120, 254–269 (2021)",

abstract = "In this work, molecular dynamics simulations were carried out to study the dynamical properties of a monomer and a dimer of green fluorescent protein (GFP) in order to provide an in-silico validation of FRET (F{\"o}rster resonance energy transfer) efficiency, calculated from the fit of the fluorescence anisotropy decays with a stretched exponential decay model. An excellent agreement was found between model and experiments. Dynamical insights on the dimer linker and on the protein tumbling were also obtained from the simulations. The molecular dynamics data are provided here.",

author = "Alessandro Crnjar and Carla Molteni and {Teijeiro Gonzalez}, Yurema and Klaus Suhling",

year = "2021",

doi = "10.18742/RDM01-638",

language = "English",

type = "Other",

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AU - Crnjar, Alessandro

AU - Molteni, Carla

AU - Teijeiro Gonzalez, Yurema

AU - Suhling, Klaus

PY - 2021

Y1 - 2021

N2 - In this work, molecular dynamics simulations were carried out to study the dynamical properties of a monomer and a dimer of green fluorescent protein (GFP) in order to provide an in-silico validation of FRET (Förster resonance energy transfer) efficiency, calculated from the fit of the fluorescence anisotropy decays with a stretched exponential decay model. An excellent agreement was found between model and experiments. Dynamical insights on the dimer linker and on the protein tumbling were also obtained from the simulations. The molecular dynamics data are provided here.

AB - In this work, molecular dynamics simulations were carried out to study the dynamical properties of a monomer and a dimer of green fluorescent protein (GFP) in order to provide an in-silico validation of FRET (Förster resonance energy transfer) efficiency, calculated from the fit of the fluorescence anisotropy decays with a stretched exponential decay model. An excellent agreement was found between model and experiments. Dynamical insights on the dimer linker and on the protein tumbling were also obtained from the simulations. The molecular dynamics data are provided here.

U2 - 10.18742/RDM01-638

DO - 10.18742/RDM01-638

M3 - Other contribution

ER -

Simulation data for “Time-resolved fluorescence anisotropy and molecular dynamics analysis of a novel GFP homo-FRET dimer” Biophys. J. 120, 254–269 (2021)

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