Počet záznamů: 1

A computational study of the molecular recognition of nucleic acid bases by poly(vinyldiaminotriazine)

  1. 1.
    0358504 - UMCH-V 2012 RIV DE eng J - Článek v odborném periodiku
    Czernek, Jiří
    A computational study of the molecular recognition of nucleic acid bases by poly(vinyldiaminotriazine).
    Macromolecular Symposia. Roč. 295, č. 1 (2010), s. 125-130 ISSN 1022-1360.
    [Prague Meetings on Macromolecules /73./ New Frontiers in Macromolecular Science: From Macromolecular Concepts of Living Matter to Polymers for Better Quality of Life. Prague, 05.07.2009-09.07.2009]
    Výzkumný záměr: CEZ:AV0Z40500505
    Klíčová slova: molecular modeling * nucleobases * poly(vinyldiaminotriazine)
    Kód oboru RIV: CD - Makromolekulární chemie

    The enthalpic gain upon formation of the complexes of the poly(vinyldiaminotriazine) model with purine, uracil and xanthine has been assessed by means of the RI-MP2 interaction energy calculations. Based on the underlying RI-DFT-D geometrical optimizations, the molecular-level insight into the recognition processes has been proposed.
    Trvalý link: http://hdl.handle.net/11104/0196528