Journal of Physical Chemistry B, volume 123, issue 29, pages 6133-6149
Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes
Publication type: Journal Article
Publication date: 2019-05-01
Journal:
Journal of Physical Chemistry B
Quartile SCImago
Q1
Quartile WOS
Q3
Impact factor: 3.3
ISSN: 15206106, 15205207
Materials Chemistry
Surfaces, Coatings and Films
Physical and Theoretical Chemistry
Abstract
Remarkable success in engineering novel efficient biomarkers based on fluorescent and photoactive proteins provokes a question of whether computational modeling of their properties can contribute to this important field. In this Feature Article, we analyze selected papers devoted to computer simulations of three types of photoactive systems: the green fluorescent protein and its derivatives, the flavin-binding proteins, and the phytochrome domains. The main emphasis is on structures, optical spectra, and chemical reactions in the chromophore-containing pockets. Quantum chemistry, quantum mechanics/molecular mechanics, and molecular dynamics methods are effective tools in these simulations. We highlight both the success stories and the persisting challenges, discussing the ways of elevating theoretical approaches to the level of testable predictions.
Citations by journals
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Journal of Physical Chemistry B
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Journal of Physical Chemistry B
7 publications, 19.44%
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1 publication, 2.78%
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1 publication, 2.78%
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1 publication, 2.78%
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Scientific Reports
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1 publication, 2.78%
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1 publication, 2.78%
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1 publication, 2.78%
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Proteins: Structure, Function and Genetics
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1 publication, 2.78%
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1 publication, 2.78%
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1 publication, 2.78%
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Physical Chemistry Chemical Physics
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1 publication, 2.78%
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Advances in Quantum Chemistry
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1 publication, 2.78%
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1 publication, 2.78%
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1 publication, 2.78%
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Journal of Molecular Biology
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1 publication, 2.78%
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Citations by publishers
2
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American Chemical Society (ACS)
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American Chemical Society (ACS)
14 publications, 38.89%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
4 publications, 11.11%
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Wiley
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Wiley
3 publications, 8.33%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
3 publications, 8.33%
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Springer Nature
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Springer Nature
3 publications, 8.33%
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
2 publications, 5.56%
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Elsevier
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Elsevier
2 publications, 5.56%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 2.78%
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Biophysical Society
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Biophysical Society
1 publication, 2.78%
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2
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14
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Nemukhin A. et al. Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes // Journal of Physical Chemistry B. 2019. Vol. 123. No. 29. pp. 6133-6149.
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Nemukhin A., Grigorenko B., Khrenova M. G., Krylov A. I. Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes // Journal of Physical Chemistry B. 2019. Vol. 123. No. 29. pp. 6133-6149.
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TY - JOUR
DO - 10.1021/acs.jpcb.9b00591
UR - https://doi.org/10.1021%2Facs.jpcb.9b00591
TI - Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes
T2 - Journal of Physical Chemistry B
AU - Nemukhin, Alexander
AU - Khrenova, Maria G.
AU - Krylov, Anna I.
AU - Grigorenko, Bella
PY - 2019
DA - 2019/05/01 00:00:00
PB - American Chemical Society (ACS)
SP - 6133-6149
IS - 29
VL - 123
SN - 1520-6106
SN - 1520-5207
ER -
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@article{2019_Nemukhin
author = {Alexander Nemukhin and Maria G. Khrenova and Anna I. Krylov and Bella Grigorenko},
title = {Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes},
journal = {Journal of Physical Chemistry B},
year = {2019},
volume = {123},
publisher = {American Chemical Society (ACS)},
month = {may},
url = {https://doi.org/10.1021%2Facs.jpcb.9b00591},
number = {29},
pages = {6133--6149},
doi = {10.1021/acs.jpcb.9b00591}
}
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MLA
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Nemukhin, Alexander, et al. “Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes.” Journal of Physical Chemistry B, vol. 123, no. 29, May. 2019, pp. 6133-6149. https://doi.org/10.1021%2Facs.jpcb.9b00591.