Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes

Тип документаJournal Article
Дата публикации2019-07-25
Название журналаJournal of Physical Chemistry B
Издатель
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry
Краткое описание
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.
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1. Nemukhin A.V. и др. Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes // The Journal of Physical Chemistry B. 2019. Т. 123. № 29. С. 6133–6149.
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TY - JOUR

DO - 10.1021/acs.jpcb.9b00591

UR - http://dx.doi.org/10.1021/acs.jpcb.9b00591

TI - Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes

T2 - The Journal of Physical Chemistry B

AU - Nemukhin, Alexander V.

AU - Grigorenko, Bella L.

AU - Khrenova, Maria G.

AU - Krylov, Anna I.

PY - 2019

DA - 2019/05/01

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,

doi = {10.1021/acs.jpcb.9b00591},

url = {https://doi.org/10.1021%2Facs.jpcb.9b00591},

year = 2019,

month = {may},

publisher = {American Chemical Society ({ACS})},

volume = {123},

number = {29},

pages = {6133--6149},

author = {Alexander V. Nemukhin and Bella L. Grigorenko and Maria G. Khrenova and Anna I. Krylov},

title = {Computational Challenges in Modeling of Representative Bioimaging Proteins: {GFP}-Like Proteins, Flavoproteins, and Phytochromes}

}

MLA
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Nemukhin, Alexander V. et al. “Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes.” The Journal of Physical Chemistry B 123.29 (2019): 6133–6149. Crossref. Web.