Počet záznamů: 1

A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA

  1. 1.
    0342528 - UOCHB-X 2011 RIV GB eng J - Článek v odborném periodiku
    Lavery, R. - Zakrzewska, K. - Beveridge, D. - Bishop, T. C. - Case, D. A. - Cheatham III, T. E. - Dixit, S. - Jayaram, B. - Lankaš, Filip - Laughton, Ch. - Maddocks, J. H. - Michon, A. - Osman, R. - Orozco, M. - Pérez, A. - Singh, T. - Špačková, Naďa - Šponer, Jiří
    A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA.
    Nucleic Acids Research. Roč. 38, č. 1 (2010), s. 299-313 ISSN 0305-1048
    Grant CEP: GA MŠk(CZ) LC06030; GA AV ČR(CZ) IAA400040802; GA ČR GA203/09/1476; GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z50040507; CEZ:AV0Z50040702
    Klíčová slova: B-DNA * molecular dynamics * sequence dependet structure and dynamics
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 7.836, rok: 2010

    Understanding and predicting base sequence effects on B-DNA properties requires an extensive structural and dynamic dataset which is currently unavailable from experiment. A consortium of laboratories was consequently formed to obtain this information using molecular simulations. This article describes simulation results providing information not only on all 10 unique base pair steps, but also on all possible neaerst-neighbor effects on these steps. These effects are found to be very significant, impying that dinucleotide models are insufficient for predicting sequence-dependent DNA properties.
    Trvalý link: http://hdl.handle.net/11104/0185242