DNA sequence-dependent three-dimensional structure and mechanical deformability play a large role in biological processes such as protein-DNA interactions, nucleosome positioning, promoter identification, and drug-DNA recognition. On the important scale of 10-100 base pairs, models where DNA bases are represented by interacting rigid bodies have proved useful. We focus on a recently proposed rigid base model with nonlocal, harmonic interaction energy. We discuss the choice of internal coordinates and a method to obtain model parameters from coordinate fluctuations. Parameter transformation upon change of reference strand, coordinate constraints, and models with reduced number of degrees of freedom are described. Relation to traditional local harmonic models is clarified. We outline recent attempts to include anharmonic effects. A rigid base model of a DNA oligomer containing A-tract is presented as an example. Perspectives of model development and application are discussed.
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Univ British Columbia, Irving K Barber Fac Sci, Dept Chem Biochem & Mol Biol, Kelowna, BC V1V 1V7, CanadaUniv British Columbia, Irving K Barber Fac Sci, Dept Chem Biochem & Mol Biol, Kelowna, BC V1V 1V7, Canada
Saran, Runjhun
Wang, Yong
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Univ Arkansas, Dept Phys, Cell & Mol Biol Program, Mat Sci & Engn Program, Fayetteville, AR 72701 USAUniv British Columbia, Irving K Barber Fac Sci, Dept Chem Biochem & Mol Biol, Kelowna, BC V1V 1V7, Canada
Wang, Yong
Li, Isaac T. S.
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Univ British Columbia, Irving K Barber Fac Sci, Dept Chem Biochem & Mol Biol, Kelowna, BC V1V 1V7, CanadaUniv British Columbia, Irving K Barber Fac Sci, Dept Chem Biochem & Mol Biol, Kelowna, BC V1V 1V7, Canada
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Northeastern Univ, Dept Phys, Boston, MA 02115 USANortheastern Univ, Dept Phys, Boston, MA 02115 USA
Zhang, Jingyun
McCauley, Micah J.
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Northeastern Univ, Dept Phys, Boston, MA 02115 USANortheastern Univ, Dept Phys, Boston, MA 02115 USA
McCauley, Micah J.
Maher, L. James, III
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Mayo Clin, Coll Med, Dept Biochem & Mol Biol, Rochester, MN 55905 USANortheastern Univ, Dept Phys, Boston, MA 02115 USA
Maher, L. James, III
Williams, Mark C.
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Northeastern Univ, Dept Phys, Boston, MA 02115 USA
Northeastern Univ, Ctr Interdisciplinary Res Complex Syst, Boston, MA 02115 USANortheastern Univ, Dept Phys, Boston, MA 02115 USA
Williams, Mark C.
Israeloff, N. E.
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Northeastern Univ, Dept Phys, Boston, MA 02115 USA
Northeastern Univ, Ctr Interdisciplinary Res Complex Syst, Boston, MA 02115 USANortheastern Univ, Dept Phys, Boston, MA 02115 USA