Search results
- 1.0399222 - ÚEB 2014 RIV US eng J - Journal Article
Gucký, T. - Jorda, Radek - Zatloukal, M. - Bazgier, V. - Berka, K. - Řezníčková, Eva - Béres, T. - Strnad, Miroslav - Kryštof, Vladimír
A Novel Series of Highly Potent 2,6,9-Trisubstituted Purine Cyclin-Dependent Kinase Inhibitors.
Journal of Medicinal Chemistry. Roč. 56, č. 15 (2013), s. 6234-6247. ISSN 0022-2623. E-ISSN 1520-4804
R&D Projects: GA ČR GAP305/12/0783; GA ČR GD203/09/H046
Grant - others:GA MŠk(CZ) ED0007/01/01; GA MŠk(CZ) ED2.1.00/03.0058; GA MŠk(CZ) EE2.3.20.0017
Program: ED; ED; EE
Institutional research plan: CEZ:AV0Z50380511
Keywords : CHRONIC LYMPHOCYTIC-LEUKEMIA * DINACICLIB SCH 727965 * CELL-CYCLE
Subject RIV: ED - Physiology
Impact factor: 5.480, year: 2013
Permanent Link: http://hdl.handle.net/11104/0226634File Download Size Commentary Version Access 2013_Gucky_JOURNAL OF MEDICINAL CHEMISTRY_6234.pdf 0 1.2 MB Other open-access - 2.0389524 - BFÚ 2013 RIV US eng J - Journal Article
Banáš, Pavel - Sklenovský, P. - Wedekind, J.E. - Šponer, Jiří - Otyepka, Michal
Molecular Mechanism of preQ(1) Riboswitch Action: A Molecular Dynamics Study.
Journal of Physical Chemistry B. Roč. 116, č. 42 (2012), s. 12721-12734. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GBP305/12/G034
Grant - others:GA ČR(CZ) GBP208/12/G016
Program: GB
Institutional support: RVO:68081707
Keywords : HEPATITIS-DELTA VIRUS * PARTICLE MESH EWALD * SAM-II RIBOSWITCH
Subject RIV: BO - Biophysics; BO - Biophysics (BFU-R)
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0218381 - 3.0384771 - BFÚ 2013 RIV US eng J - Journal Article
Zgarbová, M. - Luque, F.J. - Šponer, Jiří - Otyepka, M. - Jurečka, P.
A novel approach for deriving force field torsion angle parameters accounting for conformation-dependent solvation effects.
Journal of Chemical Theory and Computation. Roč. 8, č. 9 (2012), s. 3232-3242. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GBP305/12/G034
Grant - others:GA ČR(CZ) GAP208/10/1742
Program: GA
Institutional research plan: CEZ:AV0Z50040702
Keywords : molecular dynamics simulations * guanine quadruplex * DNA ligand binding
Subject RIV: BO - Biophysics
Impact factor: 5.389, year: 2012
Permanent Link: http://hdl.handle.net/11104/0214301 - 4.0384749 - BFÚ 2013 RIV US eng J - Journal Article
Beššeová, Ivana - Banáš, Pavel - Kührová, P. - Košinová, P. - Otyepka, Michal - Šponer, Jiří
Simulations of A-RNA duplexes. The effect of sequence, solute force field, water model, and salt concentration.
Journal of Physical Chemistry B. Roč. 116, č. 33 (2012), s. 9899-9916. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GBP305/12/G034; GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GA203/09/1476
Grant - others:GA AV ČR(CZ) GPP301/11/P558
Program: GP
Institutional research plan: CEZ:AV0Z50040702
Keywords : A-RNA * molecular dynamics * force field
Subject RIV: BO - Biophysics
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007281 - 5.0384735 - BFÚ 2013 RIV GB eng J - Journal Article
Šponer, Jiří - Mládek, Arnošt - Šponer, Judit E. - Svozil, Daniel - Zgarbová, M. - Banáš, Pavel - Jurečka, P. - Otyepka, M.
The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.
Physical Chemistry Chemical Physics. Roč. 14, č. 44 (2012), s. 15257-15277. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GAP208/10/2302; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GBP305/12/G034
Institutional research plan: CEZ:AV0Z50040702
Keywords : DNA * RNA * sugar-phosphate backbone
Subject RIV: BO - Biophysics
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0214279 - 6.0384267 - ÚOCHB 2013 RIV US eng J - Journal Article
Zelený, T. - Ruckenbauer, M. - Aquino, A. J. A. - Müller, T. - Lankaš, Filip - Dršata, Tomáš - Hase, W. L. - Nachtigallová, Dana - Lischka, H.
Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine.
Journal of the American Chemical Society. Roč. 134, č. 33 (2012), s. 13662-13669. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GAP208/12/1318; GA MŠMT(CZ) LH11021
Grant - others:GA ČR(CZ) GD203/09/H046
Program: GD
Institutional support: RVO:61388963
Keywords : excited-state dynamics * ultrafast internal-conversion * photoinduced nonadiabatic dynamics * nonradiative decay mechanisms * MR-CI level * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 10.677, year: 2012
Permanent Link: http://hdl.handle.net/11104/0213971 - 7.0379848 - BFÚ 2013 RIV US eng J - Journal Article
Banáš, P. - Mládek, Arnošt - Otyepka, M. - Zgarbová, M. - Jurečka, P. - Svozil, Daniel - Lankaš, Filip - Šponer, Jiří
Can we accurately describe the structure of adenine tracts in B-DNA? Reference quantum-chemical computations reveal overstabilization of stacking by molecular mechanics.
Journal of Chemical Theory and Computation. Roč. 8, č. 7 (2012), s. 2448-2460. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GBP305/12/G034
Grant - others:GA ČR(CZ) GAP208/10/1742; GA ČR(CZ) GPP301/11/P558
Program: GA; GP
Institutional research plan: CEZ:AV0Z50040702; CEZ:AV0Z40550506
Keywords : refinement of empirical force fields * DNA * Z-DNA backbone
Subject RIV: BO - Biophysics
Impact factor: 5.389, year: 2012
Permanent Link: http://hdl.handle.net/11104/0215385 - 8.0379846 - BFÚ 2013 RIV US eng J - Journal Article
Krepl, Miroslav - Zgarbová, M. - Stadlbauer, Petr - Otyepka, M. - Banáš, P. - Koča, J. - Cheatham III, T.E. - Jurečka, P. - Šponer, Jiří
Reference simulations of noncanonical nucleic acids with different chí variants of the AMBER force field: Quadruplex DNA, quadruplex RNA, and Z-DNA.
Journal of Chemical Theory and Computation. Roč. 8, č. 7 (2012), s. 2506-2520. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GD203/09/H046; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GBP305/12/G034
Institutional research plan: CEZ:AV0Z50040702
Keywords : refinement of empirical force fields * DNA * Z-DNA backbone
Subject RIV: BO - Biophysics
Impact factor: 5.389, year: 2012
Permanent Link: http://hdl.handle.net/11104/0215383 - 9.0379302 - BFÚ 2013 RIV US eng J - Journal Article
Šponer, Judit E. - Mládek, Arnošt - Šponer, Jiří - Fuentes-Cabrera, M.
Formamide-based prebiotic synthesis of nucleobases: A kinetically accessible reaction route.
Journal of Physical Chemistry A. Roč. 116, č. 1 (2012), s. 720-726. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT(CZ) LC06030; GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GAP208/10/2302; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GD203/09/H046
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : formamide * prebiotic synthesis * nucleobase
Subject RIV: BO - Biophysics
Impact factor: 2.771, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007112 - 10.0379300 - BFÚ 2013 RIV US eng J - Journal Article
Mládek, Arnošt - Šponer, Judit E. - Kulhánek, P. - Lu, X.-J. - Olson, W.K. - Šponer, Jiří
Understanding the sequence preference of recurrent RNA building blocks using quantum chemistry: The intrastrand RNA dinucleotide platform.
Journal of Chemical Theory and Computation. Roč. 8, č. 1 (2012), s. 335-347. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GAP208/10/2302; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GD203/09/H046
Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Keywords : RNA dinucleotide platform * quantum-chemical calculation
Subject RIV: BO - Biophysics
Impact factor: 5.389, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210546