Number of the records: 1  

Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme

  1. 1.
    SYSNO ASEP0345016
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleExtensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme
    Author(s) Mlýnský, V. (CZ)
    Banáš, P. (CZ)
    Hollas, D. (CZ)
    Réblová, Kamila (BFU-R)
    Walter, N.G. (US)
    Šponer, Jiří (BFU-R) RID, ORCID
    Otyepka, M. (CZ)
    Number of authors7
    Source TitleJournal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
    Roč. 114, č. 19 (2010), s. 6642-6652
    Number of pages11 s.
    Languageeng - English
    CountryUS - United States
    Keywordsmolecular dynamics simulations ; hairpin ribozyme
    Subject RIVBO - Biophysics
    R&D ProjectsLC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    GA203/09/1476 GA ČR - Czech Science Foundation (CSF)
    GD203/09/H046 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    KJB400040901 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    1QS500040581 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    CEZAV0Z50040507 - BFU-R (2005-2011)
    AV0Z50040702 - BFU-R (2007-2013)
    UT WOS000277499700047
    DOI10.1021/jp1001258
    AnnotationThe hairpin ribozyme is a prominent member of the group of small catalytic RNAs because it does not require metal ions to achieve catalysis. To gain insight into dynamics in the active site of a minimal self-cleaving hairpin ribozyme, we have performed extensive classical, explicit solvent molecular dynamics (MD) simulations on time scales of 50-150 ns. Starting from the available X-ray crystal structures, we investigated the structural impact of the protonation states of G8 and A38, and the inactivating A-1(2'-methosy) substitution employed in crystallography.
    WorkplaceInstitute of Biophysics
    ContactJana Poláková, polakova@ibp.cz, Tel.: 541 517 244
    Year of Publishing2011
Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.