0310115 - ÚOCHB 2009 RIV GB eng J - Journal Article
Pérez, A. - Lankaš, Filip - Lugue, F. J. - Orozco, M.
Towards a molecular dynamics consensus view of B-DNA flexibility.
[Simulace flexibility B-DNA molekulovou dynamikou.]
Nucleic Acids Research. Roč. 36, č. 7 (2008), s. 2379-2394. ISSN 0305-1048. E-ISSN 1362-4962
Grant - others:Spanish Ministry of Education(ES) BIO2006-01602; Swiss National Science Foundation(CH) 205320-103833/1
Institutional research plan: CEZ:AV0Z40550506
Keywords : DNA * molecular dynamics * force fields
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.878, year: 2008 ; AIS: 2.964, rok: 2008
DOI: https://doi.org/10.1093/nar/gkn082

We present a systematic study of B-DNA flexibility in aqueous solution using long-scale molecular dynamics simulations with the two more recent versions of nucleic acids force fields (CHARMM27 and parmbsc0) using four long duplexes designed to contain several copies of each individual base pair step.

Práce je systematickou studií flexibility B-DNA ve vodném roztoku užitím rozsáhlých simulací molekulové dynamiky. Byla použita dvě moderní silová pole (CHARMM27 a parmbsc0) a studie byla provedena na čtyřech dlouhých duplexech DNA obsahujících kopie všech dinukleotidů.
Permanent Link: http://hdl.handle.net/11104/0162069