Search results
- 1.0181433 - 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 - 2.0181432 - 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 - 3.0181401 - 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 - 4.0181331 - UFCH-W 20010257 RIV US eng J - Journal Article
Šponer, Judit E. - Sobalík, Zdeněk - Leszczynski, J. - Wichterlová, Blanka
Effect of Metal Coordination on the Charge Distribution over the Cation Binding Sites of Zeolites. A Combined Experimental and Theoretical Study.
Journal of Physical Chemistry. B. Roč. 105, - (2001), s. 8285-8290. ISSN 1089-5647
R&D Projects: GA ČR GA203/98/P118; GA ČR GA104/00/0640
Institutional research plan: CEZ:AV0Z4040901
Keywords : zeolite * ferrierite * cations oin zeolite Ag, Cu, Co
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.379, year: 2001
Permanent Link: http://hdl.handle.net/11104/0077913 - 5.0181281 - 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 - 6.0181270 - 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 - 7.0181178 - UFCH-W 20010092 RIV US eng J - Journal Article
Šponer, Judit E. - Leszczynski, J. - Glahé, F. - Lippert, B. - Šponer, Jiří
Protonation of Platinated Adenine Nucleobases. Gas Phase vs Condensed Phase Picture.
Inorganic Chemistry. Roč. 40, č. 14 (2001), s. 3269-3278. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA AV ČR IAA4040903; GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : platinated nucleobases * ab initio * nucleobase protonation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2001
Permanent Link: http://hdl.handle.net/11104/0001869 - 8.0180936 - UFCH-W 20000130 RIV GB eng J - Journal Article
Šponer, Jiří - Florián, J. - Ng, H.L. - Šponer, Judit E. - Špačková, Naďa
Local Conformational Variations Observed in B-DNA Crystals do not Improve Base Stacking: Computational Analysis of Base Stacking in a d(CATGGGCCCATG)2 B-A Intermediate Crystal Structure.
Nucleic Acids Research. Roč. 28, č. 24 (2000), s. 4893-4902. ISSN 0305-1048. E-ISSN 1362-4962
R&D Projects: GA AV ČR IAA4040903; GA MŠMT LN00A016
Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.396, year: 2000
Permanent Link: http://hdl.handle.net/11104/0077552 - 9.0180916 - UFCH-W 20000108 RIV US eng J - Journal Article
Šponer, Jiří - Šponer, Judit E. - Leszczynski, J.
Cation - ă and Amino-acceptor Interactions between Hydrated Metal Cations and DNA Bases. A Quantum-chemical View.
Journal of Biomolecular Structure & Dynamics. Roč. 17, č. 6 (2000), s. 1087-1096. ISSN 0739-1102
R&D Projects: GA AV ČR IAA4040903; GA ČR GA203/00/0633
Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.826, year: 2000
Permanent Link: http://hdl.handle.net/11104/0077534 - 10.0180879 - UFCH-W 20000068 RIV NL eng J - Journal Article
Šponer, Judit E. - Čejka, Jiří - Dědeček, Jiří - Wichterlová, Blanka
Coordination and Properties of Cobalt in the CoAPO-5 and -11.
Microporous and Mesoporous Materials. Roč. 37, 1/2 (2000), s. 117-127. ISSN 1387-1811. E-ISSN 1873-3093
R&D Projects: GA ČR GA203/98/P118; GA MŠMT OK 211; GA AV ČR KSK2050602
Grant - others:Copernicus(XE) CPA 94/0184
Institutional research plan: CEZ:AV0Z4040901
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.794, year: 2000
Permanent Link: http://hdl.handle.net/11104/0077500