A coarse grain model for DNA.

A coarse grain model for DNA. Research Abstract Details 

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A coarse grain model for DNA. Abstract Text:

Thomas A Knotts,Nitin Rathore,David C Schwartz,Juan J de Pablo,

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.

A coarse grain model for DNA. Publishing Authors By Initials

TA Knotts,N Rathore,DC Schwartz,JJ de Pablo,

For similar inorganic chemicals: salts research abstracts see: inorganic chemicals: salts research

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A coarse grain model for DNA. Journal Published:

PUBLICATION TYPE: Research Support, U.S. Gov't,

Journal: The Journal of chemical physics

VOLUME: 126

Page Numbers: 084901

Journal Abbreviation:

ISSN: 0021-9606

DAY: 28

MONTH: Feb

YEAR: 2007

A coarse grain model for DNA. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 375360

A coarse grain model for DNA. Keywords Mesh Terms:

KEYWORDS: Salts

MESH TERMS: chemistry

Chemical & Substance for Abstract: A coarse grain model for DNA. Information

Substance Name: DNA

Registry Number: 9007-49-2

Grant and Affiliation Information for A coarse grain model for DNA.

AFFILIATION: Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602, USA. thomas.knotts@byu.edu

Country: United States

AGENCY: United States NHGRI

GRANT: 5T32HG002760

ACRONYM: HG

MEDLINETA: J Chem Phys

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