Search results
- 1.0468320 - ÚOCHB 2017 RIV GB eng J - Journal Article
Navrátil, Michal - Tykvart, Jan - Schimer, Jiří - Pachl, Petr - Navrátil, Václav - Rokob, T. A. - Hlouchová, Klára - Rulíšek, Lubomír - Konvalinka, Jan
Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities.
FEBS Journal. Roč. 283, č. 13 (2016), s. 2528-2545. ISSN 1742-464X. E-ISSN 1742-4658
R&D Projects: GA ČR(CZ) GBP208/12/G016; GA ČR(CZ) GA14-31419S; GA MŠMT LO1302; GA MŠMT(CZ) LO1304
Institutional support: RVO:61388963
Keywords : arene-binding site * GCPIII * prostate-specific membrane antigen * QM/MM calculations * beta-citryl-L-glutamate
Subject RIV: CE - Biochemistry
Impact factor: 3.902, year: 2016
Permanent Link: http://hdl.handle.net/11104/0266128 - 2.0463825 - ÚOCHB 2017 RIV GB eng J - Journal Article
Dziuba, Dmytro - Pospíšil, Petr - Matyašovský, Ján - Brynda, Jiří - Nachtigallová, Dana - Rulíšek, Lubomír - Pohl, Radek - Hof, Martin - Hocek, Michal
Solvatochromic fluorene-linked nucleoside and DNA as color-changing fluorescent probes for sensing interactions.
Chemical Science. Roč. 7, č. 9 (2016), s. 5775-5785. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR GBP206/12/G151; GA ČR(CZ) GC14-03141J; GA ČR(CZ) GA14-31419S; GA MŠMT(CZ) LO1304
EU Projects: European Commission(XE) 642023 - ClickGene
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : environmentally sensitive fluorescent * molecular dynamics simulations * oligonucleotides
Subject RIV: CC - Organic Chemistry; CF - Physical ; Theoretical Chemistry (UFCH-W)
Impact factor: 8.668, year: 2016
http://pubs.rsc.org/en/content/articlepdf/2016/sc/c6sc02548j
Permanent Link: http://hdl.handle.net/11104/0262923File Download Size Commentary Version Access 0463825.pdf 3 1 MB Publisher’s postprint open-access - 3.0463791 - ÚOCHB 2017 RIV DE eng J - Journal Article
Rokob, T. A. - Chalupský, Jakub - Bím, Daniel - Andrikopoulos, Prokopis C. - Srnec, Martin - Rulíšek, Lubomír
Mono- and binuclear non-heme iron chemistry from a theoretical perspective.
Journal of Biological Inorganic Chemistry. Roč. 21, 5/6 (2016), s. 619-644. ISSN 0949-8257. E-ISSN 1432-1327
R&D Projects: GA ČR(CZ) GJ15-10279Y; GA ČR(CZ) GA14-31419S; GA ČR GA15-19143S
Grant - others:COST(XE) CM1305
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : non-heme iron * density functional theory * multireference methods * dioxygen activation * reactivity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.894, year: 2016
Permanent Link: http://hdl.handle.net/11104/0262886File Download Size Commentary Version Access 0463791preprint.pdf 0 1.7 MB Author´s preprint open-access - 4.0463356 - ÚOCHB 2017 RIV DE eng J - Journal Article
Bím, Daniel - Svobodová, E. - Eigner, V. - Rulíšek, Lubomír - Hodačová, J.
Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.
Chemistry - A European Journal. Roč. 22, č. 30 (2016), s. 10426-10437. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA14-31419S
Institutional support: RVO:61388963
Keywords : cleavage reactions * density functional calculations * ligand design * macrocyclic ligands * reaction mechanisms
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.317, year: 2016
Permanent Link: http://hdl.handle.net/11104/0262559 - 5.0461401 - ÚOCHB 2017 RIV CZ cze J - Journal Article
Bím, Daniel - Gutten, Ondrej - Chalupský, Jakub - Srnec, Martin - Rulíšek, Lubomír
Teoretická bioanorganická chemie a spektroskopie.
[Theoretical Bioinorganic Chemistry and Spectroscopy.]
Chemické listy. Roč. 110, č. 5 (2016), s. 354-364. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA ČR(CZ) GA14-31419S; GA ČR GA15-19143S; GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : theoretical bioinorganic chemistry * transition metal ion containing systems * quantum chemistry methods * reaction mechanism * metalloproteins * metal ions binding selectivity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.387, year: 2016
http://www.chemicke-listy.cz/docs/full/2016_05_354-364.pdf
Permanent Link: http://hdl.handle.net/11104/0261001 - 6.0460187 - ÚOCHB 2017 RIV GB eng J - Journal Article
Turek, J. - Růžičková, Z. - Tloušťová, Eva - Mertlíková-Kaiserová, Helena - Günterová, Jana - Rulíšek, Lubomír - Růžička, A.
1,2,4-Triazole-based N-heterocyclic carbene complexes of gold(I): synthesis, characterization and biological activity.
Applied Organometallic Chemistry. Roč. 30, č. 5 (2016), s. 318-322. ISSN 0268-2605. E-ISSN 1099-0739
R&D Projects: GA ČR(CZ) GA14-31419S; GA MŠMT LO1302
Institutional support: RVO:61388963
Keywords : gold(I) complexes * N-heterocyclic carbenes * cytotoxicity * apoptosis
Subject RIV: CC - Organic Chemistry
Impact factor: 2.319, year: 2016
Permanent Link: http://hdl.handle.net/11104/0260309 - 7.0459070 - ÚOCHB 2017 RIV US eng J - Journal Article
Shaffer, C. J. - Andrikopoulos, Prokopis C. - Řezáč, Jan - Rulíšek, Lubomír - Tureček, F.
Efficient Covalent Bond Formation in Gas-Phase Peptide-Peptide Ion Complexes with the Photoleucine Stapler.
Journal of the American Society for Mass Spectrometry. Roč. 27, č. 4 (2016), s. 633-645. ISSN 1044-0305. E-ISSN 1879-1123
R&D Projects: GA ČR(CZ) GA14-31419S; GA ČR GP13-01214P
Institutional support: RVO:61388963
Keywords : peptide-peptide ion complexes * laser photodissociation * diazirine chromophores * photoleucine * Born-Oppenheimer molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.786, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259337 - 8.0458510 - ÚOCHB 2017 RIV US eng J - Journal Article
Bím, Daniel - Rulíšek, Lubomír - Srnec, Martin
Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology.
Journal of Physical Chemistry Letters. Roč. 7, č. 1 (2016), s. 7-13. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GJ15-10279Y; GA ČR(CZ) GA14-31419S
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : density functional theory * redox potentials * computational electrochemistry
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 9.353, year: 2016
Permanent Link: http://hdl.handle.net/11104/0258777File Download Size Commentary Version Access 0458510.pdf 8 1.5 MB Publisher’s postprint require - 9.0458449 - ÚOCHB 2017 RIV GB eng J - Journal Article
Fanfrlík, Jindřich - Sedlák, Robert - Pecina, Adam - Rulíšek, Lubomír - Dostál, L. - Moncól, J. - Růžička, A. - Hobza, Pavel
The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(III) heteroboroxine complex is not supported by quantum mechanical calculations.
Dalton Transactions. Roč. 45, č. 2 (2016), s. 462-465. ISSN 1477-9226. E-ISSN 1477-9234
R&D Projects: GA ČR GBP208/12/G016; GA ČR(CZ) GA14-31419S
Institutional support: RVO:61388963
Keywords : crystal structures * arene complexes * sigma hole
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.029, year: 2016
http://pubs.rsc.org/en/content/articlepdf/2016/dt/c5dt04381f
Permanent Link: http://hdl.handle.net/11104/0258729 - 10.0455366 - ÚOCHB 2016 RIV US eng J - Journal Article
David, T. - Kubíček, V. - Gutten, Ondrej - Lubal, P. - Kotek, J. - Pietzsch, H.-J. - Rulíšek, Lubomír - Hermann, P.
Cyclam Derivatives with a Bis(phosphinate) or a Phosphinato-Phosphonate Pendant Arm: Ligands for Fast and Efficient Copper(II) Complexation for Nuclear Medical Applications.
Inorganic Chemistry. Roč. 54, č. 24 (2015), s. 11751-11766. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA14-31419S
Grant - others:COST(XE) TD1004
Institutional support: RVO:61388963
Keywords : cyclam derivatives * radiolabelling * quantum chemical calculations * copper(II) chelation
Subject RIV: CA - Inorganic Chemistry
Impact factor: 4.820, year: 2015
Permanent Link: http://hdl.handle.net/11104/0255999