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Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method

Cilt: 1 Sayı: 1 30 Mayıs 2023
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Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method

Öz

Membrane proteins such as ion channels, transporters and receptors are among the biologically important proteins. Because membrane proteins allow cells to communicate with their environment. Therefore, membrane proteins are targets for almost all drugs. It is also of scientific interest that membrane proteins play an important role in the control of the life process. Recent developments in experimental and computational sciences have further increased the interest in membrane proteins. The milestone development in this area is the obtaining of the crystal structure of membrane proteins. The crystal structure of the voltage-gated bacterial Nav channel was obtained in 2011 by Payandeh et al. Voltage-gated sodium channels are very important as they initiate the action potential. In this study, the Crooks fluctuation method, which was developed for the calculation of free energy in unbalanced systems, was applied for voltage-gated sodium channels, which is a complex biological system. The results were compared with other calculation methods in the literature.

Anahtar Kelimeler

Crooks fluctuation method, Ion channels, Sodium channel, Molecular modelling

Destekleyen Kurum

Management Unit of Scientific Research Project of Yozgat Bozok University

Proje Numarası

2014EF/A104

Teşekkür

This work has supported the Management Unit of Scientific Research Project of Yozgat Bozok University under Project Nos. 2014EF/A104.

Kaynakça

  1. J. Payandeh, T. Scheuer, N. Zheng, and W. A. Catterall, “The Crystal Structure of a Voltage-Gated Sodium Channel,” Nature, vol. 475, no. 7356, pp. 353–359, July 2011, doi: 10.1038/nature10238.
  2. E. Schrodinger, What is Life? The Physical Aspect of the Living Cell. Cambridge University Press, Cambridge, 1945.
  3. D. Haynes, Biological Thermodynamics. Cambridge University Press, Cambridge, 2008.
  4. E. A. Calzetta, “Kinesin and the Crooks Fluctuation Theorem,” Eur. Phys. J. B., vol. 68, no. 4, pp. 601–605, Apr. 2009, doi: 10.1140/epjb/e2009-00113-8.
  5. C. Bustamante, J. Liphardt, and F. Ritort, “The Nonequilibrium Thermodynamics of Small Systems,” Physics Today, vol. 58, no. 7, pp. 43–48, July 2005, doi: 10.1063/1.2012462.
  6. F. Ritort, “Nonequilibrium Fluctuations in Small Systems: From Physics to Biology,” Adv. Chem. Phys., vol. 137, pp. 31–123, Dec. 2007, doi: 10.1002/9780470238080.ch2.
  7. D. L. Beveridge and F. M. DiCapua, “Free Energy via Molecular Simulation: Applications to Chemical and Biomolecular Systems,” Annu. Rev. Biophys. Biophys. Chem., vol. 18, no. 1, pp. 431–492, June 1989, doi: 10.1146/annurev.bb.18. 060189.002243.
  8. M. Khabiri, “Computational Investigations of Biomolecular Systems and Comparison with Experiments in Various Environmental Conditions,” PhD Dissertation, University of South Bohemia in Ceske Budejovice, Nove Hrady, Czech Republic, 2011.
  9. P. Akhshi, “Molecular Dynamics Simulation Studies of Ion Transport along G-quadruplex DNA Channels,” PhD Dissertation, Queen's University, Ontario, Canada, 2013.
  10. E. Buxbaum, Fundamentals of Protein Structure and Function. Springer International, Publishing Switzerland, 2015.

Kaynak Göster

APA
Çavuş, M. (2023). Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method. Bozok Journal of Science, 1(1), 23-33. https://izlik.org/JA47LN29HE
AMA
1.Çavuş M. Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method. BJS. 2023;1(1):23-33. https://izlik.org/JA47LN29HE
Chicago
Çavuş, Murat. 2023. “Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method”. Bozok Journal of Science 1 (1): 23-33. https://izlik.org/JA47LN29HE.
EndNote
Çavuş M (01 Mayıs 2023) Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method. Bozok Journal of Science 1 1 23–33.
IEEE
[1]M. Çavuş, “Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method”, BJS, c. 1, sy 1, ss. 23–33, May. 2023, [çevrimiçi]. Erişim adresi: https://izlik.org/JA47LN29HE
ISNAD
Çavuş, Murat. “Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method”. Bozok Journal of Science 1/1 (01 Mayıs 2023): 23-33. https://izlik.org/JA47LN29HE.
JAMA
1.Çavuş M. Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method. BJS. 2023;1:23–33.
MLA
Çavuş, Murat. “Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method”. Bozok Journal of Science, c. 1, sy 1, Mayıs 2023, ss. 23-33, https://izlik.org/JA47LN29HE.
Vancouver
1.Murat Çavuş. Free Energy Calculation for NavAb Channel Using the Crooks Fluctuation Method. BJS [Internet]. 01 Mayıs 2023;1(1):23-3. Erişim adresi: https://izlik.org/JA47LN29HE