Search results
- 1.0181453 - UFCH-W 20020121 RIV US eng J - Journal Article
Hobza, Pavel - Šponer, Jiří
Towards True DNA Base Stacking Energies: MP2, CCSD(T) and Complete Basis Set Calculations.
Journal of the American Chemical Society. Roč. 124, - (2002), s. 11802-11808. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : DNA base * Complete basis set calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.201, year: 2002
Permanent Link: http://hdl.handle.net/11104/0078018 - 2.0181433 - UFCH-W 20020099 RIV US eng J - Journal Article
Wärmländer, S. - Šponer, Jiří - Leijon, M. - Šponer, Judit E.
The Influence of the Thymine C5 Methyl Group on Spontaneous Base Pair Breathing in DNA.
Journal of Biological Chemistry. Roč. 277, č. 32 (2002), s. 28491-28497. ISSN 0021-9258. E-ISSN 1083-351X
R&D Projects: GA MŠMT LN00A016
Institutional research plan: CEZ:AV0Z4040901
Keywords : thymine * DNA * base pairs
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.696, year: 2002
Permanent Link: http://hdl.handle.net/11104/0078004 - 3.0181432 - UFCH-W 20020098 RIV US eng J - Journal Article
Schmidt, K. S. - Reedijk, J. - Weisz, K. - Janke, E. M. B. - Šponer, Judit E. - Šponer, Jiří - Lippert, B.
Loss of Hoogsteen Pairing Ability upon N1 Adenine Platinum Binding.
Inorganic Chemistry. Roč. 41, č. 11 (2002), s. 2855-2863. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA MŠMT LN00A016; GA AV ČR IAA4040903
Institutional research plan: CEZ:AV0Z4040901
Keywords : adenine * thymine * Hoogsteen pairing ability
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.950, year: 2002
Permanent Link: http://hdl.handle.net/11104/0001886 - 4.0181425 - UFCH-W 20020091 RIV GB eng J - Journal Article
Trygubenko, S. A. - Bogdan, T. V. - Rueda, M. - Orozco, M. - Lugue, F. J. - Šponer, Jiří - Slavíček, Petr - Hobza, Pavel
Correlated ab initio Study of Nucleic Acid Bases and Their Tautomers in the Gas Phase, Microhydrated Environment, and in Aqueous Solution. Part 1. Cytosine.
Physical Chemistry Chemical Physics. Roč. 4, - (2002), s. 4192-4203. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : correlated ab initio study * nucleic acid bases * cytosine
Subject RIV: CH - Nuclear ; Quantum Chemistry
Impact factor: 1.838, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077998 - 5.0181417 - UFCH-W 20020086 RIV US eng J - Journal Article
Lankaš, Filip - Cheatham III, T. E. - Špačková, Naďa - Hobza, Pavel - Langowski, I. - Šponer, Jiří
Critical Effect of the N2 Amino Group on Structure, Dynamics, and Elasticity of DNA Polypurine Tracts.
Biophysical Journal. Roč. 82, č. 5 (2002), s. 2592-2609. ISSN 0006-3495. E-ISSN 1542-0086
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : elasticity of DNA * polypurine tracts * MD simulations
Subject RIV: CH - Nuclear ; Quantum Chemistry
Impact factor: 4.643, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077991 - 6.0181402 - UFCH-W 20020066 RIV US eng J - Journal Article
Šponer, Jiří - Leszczynski, J. - Hobza, Pavel
Electronic Properties, Hydrogen Bonding, Stacking, and Cation Binding of DNA and RNA Bases.
Biopolymers. Roč. 61, č. 1 (2002), s. 3-31. ISSN 0006-3525. E-ISSN 1097-0282
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : hydrogen bonding * stacking * cation binding of DNA and RNA bases
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.372, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077978 - 7.0181401 - UFCH-W 20020065 RIV US eng J - Journal Article
Řeha, David - Kabeláč, Martin - Ryjáček, Filip - Šponer, Jiří - Šponer, Judit E. - Elstner, M. - Suhai, S. - Hobza, Pavel
Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine and 4'',6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab initio Quantum Chemical, Density Functional Theory and Empirical Potentional Study.
Journal of the American Chemical Society. Roč. 124, č. 13 (2002), s. 3366-3376. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : DNA * intercalators * an initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.201, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077977 - 8.0181281 - UFCH-W 20010202 RIV US eng J - Journal Article
Šponer, Judit E. - Glahé, F. - Leszczynski, J. - Lippert, B. - Šponer, Jiří
How Nucleobases Rotate When Bonded to a Metal Ion: Detailed View from an ab initio Quantum Chemical Study of a Cytosine Complex of trans-a2PTII.
Journal of Physical Chemistry. B. Roč. 105, č. 48 (2001), s. 12171-12179. ISSN 1089-5647
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : ab initio * metaleted base pairs * metal cations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.379, year: 2001
Permanent Link: http://hdl.handle.net/11104/0077863 - 9.0181270 - UFCH-W 20010188 RIV NL eng J - Journal Article
Šponer, Judit E. - Šponer, Jiří - Čejka, Jiří
Ab initio Quantum Chemical Study on the Zeolite Catalyzed Transformations of Para-Xylene.
Journal of Molecular Structure. Theochem. Roč. 540, č. 1 (2001), s. 145-152. ISSN 0166-1280
R&D Projects: GA AV ČR IAA4040707
Institutional research plan: CEZ:AV0Z4040901
Keywords : xylene * catalysis * zeolite
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.919, year: 2001
Permanent Link: http://hdl.handle.net/11104/0077853 - 10.0181262 - UFCH-W 20010178 RIV GB eng J - Journal Article
Burda, J. V. - Šponer, Jiří - Leszczynski, J.
The Influence of Square Planar Platinum Complexes on DNA Bases Pairing. An ab initio DFT Study.
Physical Chemistry Chemical Physics. Roč. 3, č. 19 (2001), s. 4404-4411. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : DNA base pairing * platinated base pairs * ab initio DFT study
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.787, year: 2001
Permanent Link: http://hdl.handle.net/11104/0077845