Počet záznamů: 1

Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues

  1. 1.
    0341004 - BFU-R 2010 RIV DE eng J - Článek v odborném periodiku
    Šponer, Judit E. - Vázquez-Mayagoitia, Á. - Sumpter, B.G. - Leszczynski, J. - Šponer, Jiří - Otyepka, M. - Banáš, P. - Fuentes-Cabrera, M.
    Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues.
    Chemistry - A European Journal. Roč. 16, č. 10 (2010), s. 3057-3065 ISSN 0947-6539
    Grant CEP: GA MŠk(CZ) LC06030; GA AV ČR(CZ) 1QS500040581; GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GA203/09/1476
    Grant ostatní:GA MŠk(CZ) LC512; GA AV ČR(CZ) IAA400550701; GA ČR(CZ) GD203/09/H046
    Program:LC; IA; GD
    Výzkumný záměr: CEZ:AV0Z50040507; CEZ:AV0Z50040702
    Klíčová slova: quantum chemistry * base pairing * origin of life
    Kód oboru RIV: BO - Biofyzika
    Impakt faktor: 5.476, rok: 2010

    Recent experimental studies on the Watson-Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two N_H...O hydrogen bonds separated by one N_H...N hydrogen bond.
    Trvalý link: http://hdl.handle.net/11104/0184121