Murat ÇAVUŞ, Murat ŞAHAN, Turgut BAŞTUĞ

FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT

Today, the most important reason of the work with molecular dynamics simulation method of biomolecular systems is to ensure understanding physical mechanism and dynamic properties that is not readily accessible to experimental methods. Gramicidin channels (Figure 1) are bacterial channels with radius of approximately 2 Å. The channel is a simple test system for controlling the accuracy of the method of free energy and force field because of the simple structure. In addition, theoretical calculations of free energy that called Crooks fluctuation theorem for non-equilibrium systems are available at literature. In this study, primarily, free energy calculation methods that do not require equilibrium state were developed for complex systems and compared with the free energy simulation work in equilibrium condition. Finally the validity of the method was tested for the GA channels.

Keywords:

Gramicidin A Channel, Crooks Fluctuation Theorem, Non-equilibrium Systems,

Tam Metin

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Bibtex	@ { else313712, journal = {Electronic Letters on Science and Engineering}, issn = {1305-8614}, address = {Bozok University, Electrical and Electronics Engineering, Erdoğan Akdag Kampus, 66200, Yozgat, TURKEY.}, publisher = {Fevzullah TEMURTAŞ}, year = {2016}, volume = {12}, number = {2}, pages = {14 - 14}, title = {FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT}, key = {cite}, author = {Çavuş, Murat and Şahan, Murat and Baştuğ, Turgut} }
APA	Çavuş, M. , Şahan, M. & Baştuğ, T. (2016). FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT . Electronic Letters on Science and Engineering , 12 (2) , 14-14 .
MLA	Çavuş, M. , Şahan, M. , Baştuğ, T. "FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT" . Electronic Letters on Science and Engineering 12 (2016 ): 14-14 <
Chicago	Çavuş, M. , Şahan, M. , Baştuğ, T. "FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT". Electronic Letters on Science and Engineering 12 (2016 ): 14-14
RIS	TY - JOUR T1 - FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT AU - Murat Çavuş , Murat Şahan , Turgut Baştuğ Y1 - 2016 PY - 2016 N1 - DO - T2 - Electronic Letters on Science and Engineering JF - Journal JO - JOR SP - 14 EP - 14 VL - 12 IS - 2 SN - 1305-8614- M3 - UR - Y2 - 2022 ER -
EndNote	%0 Electronic Letters on Science and Engineering FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT %A Murat Çavuş , Murat Şahan , Turgut Baştuğ %T FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT %D 2016 %J Electronic Letters on Science and Engineering %P 1305-8614- %V 12 %N 2 %R %U
ISNAD	Çavuş, Murat , Şahan, Murat , Baştuğ, Turgut . "FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT". Electronic Letters on Science and Engineering 12 / 2 (Ağustos 2016): 14-14 .
AMA	Çavuş M. , Şahan M. , Baştuğ T. FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT. Electronic Letters on Science and Engineering. 2016; 12(2): 14-14.
Vancouver	Çavuş M. , Şahan M. , Baştuğ T. FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT. Electronic Letters on Science and Engineering. 2016; 12(2): 14-14.
IEEE	M. Çavuş , M. Şahan ve T. Baştuğ , "FREE ENERGY CALCULATION FOR GRAMICIDIN A (GA) CHANNEL WITH NO EQUILIBRIUM REQUIREMENT", Electronic Letters on Science and Engineering, c. 12, sayı. 2, ss. 14-14, Ağu. 2016