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A computational study of the molecular recognition of nucleic acid bases by poly(vinyldiaminotriazine)
- 1.0358504 - ÚMCH 2012 RIV DE eng J - Journal Article
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]
Institutional research plan: CEZ:AV0Z40500505
Keywords : molecular modeling * nucleobases * poly(vinyldiaminotriazine)
Subject RIV: CD - Macromolecular Chemistry
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.
Permanent Link: http://hdl.handle.net/11104/0196528
Number of the records: 1