Search results
- 1.0619174 - ÚOCHB 2026 RIV US eng J - Journal Article
Kormaník, Ján Michael - Herman, Daniel - Andris, Erik - Culka, Martin - Gutten, Ondrej - Kožíšek, Milan - Bednárová, Lucie - Srb, Pavel - Veverka, Václav - Rulíšek, Lubomír
Design of Zn-Binding Peptide(s) from Protein Fragments.
Chembiochem. Roč. 26, č. 7 (2025), č. článku e202401014. ISSN 1439-4227. E-ISSN 1439-7633
R&D Projects: GA ČR(CZ) GA23-05940S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : zinc(II) * metal-binding peptide * computer design * isothermal calorimetry * NMR * QM modeling
Impact factor: 2.6, year: 2023 ; AIS: 0.736, rok: 2023
Method of publishing: Open access
Result website:
https://doi.org/10.1002/cbic.202401014DOI: https://doi.org/10.1002/cbic.202401014
Permanent Link: https://hdl.handle.net/11104/0365914File Download Size Commentary Version Access 10.1002cbic.202401014.pdf 2 4.2 MB Publisher’s postprint open-access - 2.0603106 - ÚOCHB 2026 RIV NL eng J - Journal Article
Stanczak, Agnieszka - Kipouros, I. - Eminger, Petr - Dunietz, E. M. - Solomon, E. I. - Rulíšek, Lubomír
Coupled binuclear copper sites in biology: An experimentally-calibrated computational perspective.
Coordination Chemistry Reviews. Roč. 525, February (2025), č. článku 216301. ISSN 0010-8545. E-ISSN 1873-3840
R&D Projects: GA MŠMT(CZ) LUAUS24230
Institutional support: RVO:61388963
Keywords : coupled binuclear copper (CBC) * [Cu2O2] active sites * QM/MM modeling * WFT & DFT * spectroscopy * kinetics * structure/function correlations
OECD category: Physical chemistry
Impact factor: 20.3, year: 2023 ; AIS: 3.482, rok: 2023
Method of publishing: Limited access
Result website:
https://doi.org/10.1016/j.ccr.2024.216301DOI: https://doi.org/10.1016/j.ccr.2024.216301
Permanent Link: https://hdl.handle.net/11104/0360392File Download Size Commentary Version Access 10.1016j.ccr.2024.216301.pdf 6 10.2 MB Publisher’s postprint require - 3.0601201 - ÚOCHB 2025 RIV US eng J - Journal Article
Droghetti, F. - Lemken, Florian - Rulíšek, Lubomír - Ruggi, A. - Natali, M.
Selective and Efficient Light-Driven CO2 Reduction to CO with a Heptacoordinated Polypyridine Iron(II) Catalyst.
ACS Catalysis. Roč. 14, č. 22 (2024), s. 16920-16935. ISSN 2155-5435. E-ISSN 2155-5435
R&D Projects: GA MŠMT(CZ) LUAUS24230
Institutional support: RVO:61388963
Keywords : carbon dioxide reduction * iron polypyridine complexes * selectivity * light-driven processes * mechanistic insight * quantum chemical calculations
OECD category: Physical chemistry
Impact factor: 11.7, year: 2023 ; AIS: 2.948, rok: 2023
Method of publishing: Limited access
Result website:
https://doi.org/10.1021/acscatal.4c04290DOI: https://doi.org/10.1021/acscatal.4c04290
Permanent Link: https://hdl.handle.net/11104/0358408 - 4.0584482 - ÚOCHB 2025 RIV US eng J - Journal Article
Kalvoda, Tadeáš - Martinek, Tomáš - Jungwirth, Pavel - Rulíšek, Lubomír
Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods.
Journal of Chemical Physics. Roč. 160, č. 8 (2024), č. článku 084308. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA23-05940S
EU Projects: European Commission(XE) 101095957 - Q-SCALING
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : absorption fine structure * aqueous solution * neutron diffraction
OECD category: Physical chemistry
Impact factor: 3.1, year: 2023 ; AIS: 0.908, rok: 2023
Method of publishing: Limited access
Result website:
https://doi.org/10.1063/5.0192024DOI: https://doi.org/10.1063/5.0192024
Permanent Link: https://hdl.handle.net/11104/0352388File Download Size Commentary Version Access 10.10635.0192024.pdf 3 4.9 MB Publisher’s postprint require - 5.0583095 - ÚOCHB 2025 RIV US eng J - Journal Article
Štěpánová, Sille - Andris, Erik - Gutten, Ondrej - Buděšínský, Miloš - Dejmek, Milan - Břehová, Petra - Rulíšek, Lubomír - Kašička, Václav
Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopy.
Electrophoresis. Roč. 45, 7/8 (2024), s. 687-705. ISSN 0173-0835. E-ISSN 1522-2683
R&D Projects: GA ČR(CZ) GA20-03899S; GA ČR(CZ) GA23-05940S
Institutional support: RVO:61388963
Keywords : acidity constant * capillary electrophoresis * cyclic dinucleotides * DFT calculations * NMR spectroscopy
OECD category: Analytical chemistry
Impact factor: 3, year: 2023 ; AIS: 0.445, rok: 2023
Method of publishing: Open access
Result website:
https://doi.org/10.1002/elps.202300232DOI: https://doi.org/10.1002/elps.202300232
Permanent Link: https://hdl.handle.net/11104/0351092 - 6.0580275 - ÚOCHB 2025 RIV GB eng J - Journal Article
Osifová, Zuzana - Kalvoda, Tadeáš - Galgonek, Jakub - Culka, Martin - Vondrášek, Jiří - Bouř, Petr - Bednárová, Lucie - Andrushchenko, Valery - Dračínský, Martin - Rulíšek, Lubomír
What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments.
Chemical Science. Roč. 15, č. 2 (2024), s. 594-608. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA23-05940S; GA ČR(CZ) GA22-33060S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * spin coupling constants * conformational propensities
OECD category: Physical chemistry
Impact factor: 7.6, year: 2023 ; AIS: 2.014, rok: 2023
Method of publishing: Open access
Result website:
https://doi.org/10.1039/D3SC04960DDOI: https://doi.org/10.1039/d3sc04960d
Permanent Link: https://hdl.handle.net/11104/0349025File Download Size Commentary Version Access 10.1039D3SC04960D.pdf 2 1.5 MB Publisher’s postprint open-access - 7.0576720 - ÚOCHB 2024 RIV US eng J - Journal Article
Kipouros, I. - Stanczak, Agnieszka - Dunietz, E. M. - Ginsbach, J. W. - Srnec, Martin - Rulíšek, Lubomír - Solomon, E. I.
Experimental Evidence and Mechanistic Description of the Phenolic H-Transfer to the Cu2O2 Active Site of oxy-Tyrosinase.
Journal of the American Chemical Society. Roč. 145, č. 42 (2023), s. 22866-22870. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA23-05940S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : copper * hydroxylation * monooxygenase
OECD category: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 14.5, year: 2023 ; AIS: 3.859, rok: 2023
Method of publishing: Limited access
Result website:
https://doi.org/10.1021/jacs.3c07450DOI: https://doi.org/10.1021/jacs.3c07450
Permanent Link: https://hdl.handle.net/11104/0346146File Download Size Commentary Version Access 0576720.pdf 0 2.1 MB Publisher’s postprint require - 8.0576490 - ÚOCHB 2024 RIV GB eng J - Journal Article
Antal, R. - Staś, Monika - Perdomo, S. M. - Štemberová, M. - Brůža, Z. - Matouš, P. - Kratochvíl, J. - Růžička, A. - Rulíšek, Lubomír - Kuneš, J. - Kočovský, P. - Andris, Erik - Pour, M.
Synthesis of highly polarized [3]dendralenes and their Diels-Alder reactions.
Organic Chemistry Frontiers. Roč. 10, č. 22 (2023), s. 5568-5578. ISSN 2052-4129. E-ISSN 2052-4129
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : cross-coupling reactions * dendralenes * generation
OECD category: Physical chemistry
Impact factor: 4.6, year: 2023 ; AIS: 0.816, rok: 2023
Method of publishing: Open access
Result website:
https://doi.org/10.1039/D3QO01221BDOI: https://doi.org/10.1039/d3qo01221b
Permanent Link: https://hdl.handle.net/11104/0346045Research data: CCDC - 9.0576137 - ÚOCHB 2024 RIV US eng J - Journal Article
Inniss, N. L. - Kozic, Ján - Li, F. - Rosas-Lemus, M. - Minasov, G. - Rybáček, Jiří - Zhu, Y. - Pohl, Radek - Shuvalova, L. - Rulíšek, Lubomír - Brunzelle, J. S. - Bednárová, Lucie - Štefek, Milan - Kormaník, Ján Michael - Andris, Erik - Šebestík, Jaroslav - Li, A. S. M. - Brown, P. J. - Schmitz, U. - Saikatendu, K. - Chang, E. - Nencka, Radim - Vedadi, M. - Satchell, K. J. F.
Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
ACS Infectious Diseases. Roč. 9, č. 10 (2023), s. 1918-1931. ISSN 2373-8227
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA MZd(CZ) NU20-05-00472
Institutional support: RVO:61388963
Keywords : coronavirus * NSP16 methyltransferase * covalent inhibitors * structural biology * antiviral
OECD category: Virology
Impact factor: 4.1, year: 2023 ; AIS: 1.084, rok: 2023
Method of publishing: Limited access
Result website:
https://doi.org/10.1021/acsinfecdis.3c00203DOI: https://doi.org/10.1021/acsinfecdis.3c00203
Permanent Link: https://hdl.handle.net/11104/0345731 - 10.0574532 - BTÚ 2024 RIV US eng J - Journal Article
Motlová, Lucia - Šnajdr, Ivan - Kutil, Zsófia - Andris, Erik - Ptáček, Jakub - Novotná, Adéla - Nováková, Zora - Havlínová, Barbora - Tueckmantel, W. - Dráberová, Helena - Majer, Pavel - Schutkowski, M. - Kozikowski, A. - Rulíšek, Lubomír - Bařinka, Cyril
Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
ACS Chemical Biology. Roč. 18, č. 7 (2023), s. 1594-1610. ISSN 1554-8929. E-ISSN 1554-8937
R&D Projects: GA ČR(CZ) GA21-31806S; GA ČR(CZ) GA23-05940S; GA MŠMT(CZ) LUAUS23247
Research Infrastructure: CIISB III - 90242; EATRIS-CZ IV - 90253
Institutional support: RVO:86652036 ; RVO:61388963
Keywords : BASIS-SETS * COSMO * ENERGY * REFINEMENT
OECD category: Biochemistry and molecular biology
Impact factor: 3.5, year: 2023 ; AIS: 1.31, rok: 2023
Method of publishing: Open access
Result website:
https://pubs.acs.org/doi/10.1021/acschembio.3c00212DOI: https://doi.org/10.1021/acschembio.3c00212
Permanent Link: https://hdl.handle.net/11104/0347139