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Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics
- 1.0356082 - BFÚ 2011 RIV US eng J - Journal Article
Mládek, Arnošt - Šponer, Judit E. - Jurečka, P. - Banáš, P. - Otyepka, M. - Svozil, D. - Šponer, Jiří
Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics.
Journal of Chemical Theory and Computation. Roč. 6, č. 12 (2010), s. 3817-3835. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/10/2302
Grant - others:GA ČR(CZ) GD203/09/H046; GA MŠk(CZ) LC06030; GA MŠk(CZ) LC512
Program: GD; LC; LC
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : intramolecular hydrogen-bonds * main-group thermochemistry * set superposition error
Subject RIV: BO - Biophysics
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0194699
Number of the records: 1