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A coarse grain model for DNA

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Permanent URL	http://hdl.lib.byu.edu/1877/1230
Title	A coarse grain model for DNA
BYU Creator	Knotts, Thomas A.
Creator	Rathore, Nitin Schwartz, David C. de Pablo, Juan J.
Keywords	DNA; mesoscopic length; coarse grain model
Description/Abstract	Understanding the behavior of DNA at the molecular level is of considerable fundamental and engineering importance. While adequate representations of DNA exist at the atomic and continuum level, there is a relative lack of models capable of describing the behavior of DNA at mesoscopic length scales. We present a mesoscale model of DNA that reduces the complexity of a nucleotide to three interactions sites, one each for the phosphate, sugar, and base, thereby rendering the investigation of DNA up to a few microns in length computationally tractable. The charges on these sites are considered explicitly. The model is parametrized using thermal denaturation experimental data at a fixed salt concentration. The validity of the model is established by its ability to predict several aspects of DNA behavior, including salt-dependent melting, bubble formation and rehybridization, and the mechanical properties of the molecule as a function of salt concentration.
Source	Knotts, Thomas A., Iv, Nitin Rathore, David C. Schwartz, and Juan J. de Pablo."A coarse grain model for DNA." The Journal of Chemical Physics 126 (2007).;
Publisher	AIP
Date Original	2007-02-23
Language	English eng en
Publication Type	Articles
Type	Text
Format	application/pdf
Owning Institution	Brigham Young University
BYU College	Ira A. Fulton College of Engineering and Technology
BYU Department	Chemical Engineering
Copyright Status	(c) 2007 American Institue of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/126/084901/1;
Copyright Use Information	http://www.lib.byu.edu/generic_copyright.html

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