Critical effect of the N2 amino group on structure, dynamics, and elasticity of DNA polypurine tracts.

@article{Lanka2002CriticalEO,
  title={Critical effect of the N2 amino group on structure, dynamics, and elasticity of DNA polypurine tracts.},
  author={Filip Lanka{\vs} and Thomas E. Cheatham and Nad'a {\vS}pa{\vc}kov{\'a} and Pavel Hobza and J{\"o}rg Langowski and Jiř{\'i} {\vS}poner},
  journal={Biophysical journal},
  year={2002},
  volume={82 5},
  pages={2592-609}
}
Unrestrained 5-20-ns explicit-solvent molecular dynamics simulations using the Cornell et al. force field have been carried out for d[GCG(N)11GCG]2 (N, purine base) considering guanine*cytosine (G*C), adenine*thymine (A*T), inosine*5-methyl-cytosine (I*mC), and 2-amino-adenine*thymine (D*T) basepairs. The simulations unambiguously show that the structure and elasticity of N-tracts is primarily determined by the presence of the amino group in the minor groove. Simulated A-, I-, and AI-tracts… CONTINUE READING

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CHARMM: a program for macromolecular energy, minimization, and dynamics calculations

  • B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, M. Karplus.
  • J. Comp. Chem. 4:187–217.
  • 1983
Highly Influential
10 Excerpts

Nanosecond molecular dynamics of zipper-like DNA duplex structures containing sheared G.A mismatch pairs

  • N. Spackova, I. Berger, J. Sponer
  • J. Am. Chem
  • 2000
Highly Influential
5 Excerpts

Molecular dynamics studies of DNA A-tract structure and flexibility

  • E. C. Sherer, S. A. Harris, R. Soliva, M. Orozco, C. A. Laughton.
  • J. Am. Chem. Soc. 121:5981–5991.
  • 1999
Highly Influential
12 Excerpts

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