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Temporal and Steric Analysis of Ionic Permeation and Binding in Na+,K+-ATPase via Molecular Dynamic Simulations

Fonseca, James E.
http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1210868607

Abstract Details

2008, Doctor of Philosophy (PhD), Ohio University, Electrical Engineering & Computer Science (Engineering and Technology).
Interdisciplinary research has become a mature approach for the development of novel, integrated solutions for many complex problems in basic science and applied technology. The convergence of biology and nanotechnology is particularly promising from an engineering perspective. This dissertation will use computer simulations to investigate the structure-function of the P-type ATPases, a class of vital biological transmembrane proteins. A detailed understanding of protein function at the atomic level and associated time scale is not only important for biomedical research but also vital for the design and development of engineering applications, such as self-assembling molecular devices. This work's methodology will show that significant insight into the structure-function relationship of ion-motive ATPases can be derived by a combination of simulation tools and analysis techniques including molecular dynamic trajectories, steric pathway analysis, and electrostatic calculations.
Savas Kaya, PhD (Advisor)
Roger Radcliff, PhD (Committee Member)
Henryk Lozykowski, PhD (Committee Member)
Janus Starzyk, PhD (Committee Member)
Saw-Wai Hla, PhD (Other)
Ralph DiCaprio, PhD (Other)
206 p.
Bioinformatics; Biophysics; Electrical Engineering
Na+,K+-ATPase; homology modeling; molecular dynamics; P-type ATPase

Recommended Citations

Citations

  • Fonseca, J. E. (2008). Temporal and Steric Analysis of Ionic Permeation and Binding in Na+,K+-ATPase via Molecular Dynamic Simulations [Doctoral dissertation, Ohio University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1210868607

    APA Style (7th edition)

  • Fonseca, James. Temporal and Steric Analysis of Ionic Permeation and Binding in Na+,K+-ATPase via Molecular Dynamic Simulations. 2008. Ohio University, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1210868607.

    MLA Style (8th edition)

  • Fonseca, James. "Temporal and Steric Analysis of Ionic Permeation and Binding in Na+,K+-ATPase via Molecular Dynamic Simulations." Doctoral dissertation, Ohio University, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1210868607

    Chicago Manual of Style (17th edition)

ohiou1210868607
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© 2008, all rights reserved.
This open access ETD is published by Ohio University and OhioLINK.