Počet záznamů: 1

On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations

  1. 1.
    0334367 - UOCHB-X 2010 RIV GB eng J - Článek v odborném periodiku
    Lankaš, Filip - Gonzalez, O. - Heffler, L. M. - Stoll, G. - Moakher, M. - Maddocks, J. H.
    On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations.
    Physical Chemistry Chemical Physics. Roč. 11, č. 45 (2009), s. 10565-10588 ISSN 1463-9076
    Grant CEP: GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: molecular dynamics * coarse-grained models * DNA mechanical properties
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.116, rok: 2009

    A method is proposed to extract sequence-dependent parameters for rigid base and basepair models of DNA from atomistic molecular dynamics. The practicability of the approach is verified by estimating a complete parameter set for a palindromic oligomer. We test the assumptions of rigidity of the bases and basepairs and the locality of the quadratic internal energy. The results show that these assumptions hold rather well for the base model but not for the basepair model.
    Trvalý link: http://hdl.handle.net/11104/0179121