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Volumn 121, Issue 23, 1999, Pages 5519-5534

Nanosecond molecular dynamics simulations of parallel and antiparallel guanine quadruplex DNA molecules

Author keywords

[No Author keywords available]

Indexed keywords

GUANINE;

EID: 0040164390     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja984449s     Document Type: Article
Times cited : (166)

References (101)
  • 7
    • 0024298737 scopus 로고
    • (a) Cech, T. R. Nature 1988, 332, 777-778.
    • (1988) Nature , vol.332 , pp. 777-778
    • Cech, T.R.1
  • 72
    • 0344014584 scopus 로고    scopus 로고
    • note
    • The average χ values for individual quartets (calculated along the entire trajectory) were 201° for the 5′ terminal quartet, 242° for 3′ terminal quartet, and 228° for the inner quartets. The corresponding values in the crystal structure are around 238° for the 5′ terminal quartet and around 250° for the other quartets.
  • 73
    • 0345308816 scopus 로고    scopus 로고
    • note
    • A very fast and concerted change of two angles occurred: the γ torsion changed from 55° to 190° and a from ca. 290° to 110°.
  • 74
    • 0344877648 scopus 로고    scopus 로고
    • note
    • + + 4G), thus obtaining numbers comparable to base stacking energies in other nucleic acid structures.
  • 75
    • 0344877647 scopus 로고    scopus 로고
    • note
    • 10
  • 76
    • 0344014580 scopus 로고    scopus 로고
    • note
    • 14
  • 78
    • 0344445861 scopus 로고    scopus 로고
    • note
    • 28
  • 80
    • 0344877645 scopus 로고    scopus 로고
    • note
    • +" simulation, where once one of the outer cations tested a position outside the channel entrance. The whole event, however, took just 5 ps.
  • 81
    • 0344877646 scopus 로고    scopus 로고
    • note
    • In fact, the first guanine residue in the crystal is anti (χ = 135°) while it should be syn. This has been swiftly repaired in both simulations by switching to the genuine syn arrangement (χ ca. 45°).
  • 82
    • 0344014578 scopus 로고    scopus 로고
    • note
    • This means a range of closest interphosphate distances in structures averaged over three subsequent 0.5-ns intervals in both simulations, starting at 0.5 ns.
  • 87
    • 0344877643 scopus 로고    scopus 로고
    • The rmsd's were calculated for structures averaged over the last 0.5 ns
    • The rmsd's were calculated for structures averaged over the last 0.5 ns.
  • 92
    • 0345308809 scopus 로고    scopus 로고
    • Manuscript in preparation
    • Gu, J.; Leszczynski, J. Manuscript in preparation.
    • Gu, J.1    Leszczynski, J.2
  • 96


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.