Search results
- 1.0585706 - ÚOCHB 2025 RIV NL eng J - Journal Article
Chaloupecká, Ema - Kurfiřt, Martin - Červenková Šťastná, Lucie - Karban, Jindřich - Dračínský, Martin
Exploring long-range fluorine-carbon J-coupling for conformational analysis of deoxyfluorinated disaccharides: A combined computational and NMR study.
Bioorganic Chemistry. Roč. 147, June (2024), č. článku 107388. ISSN 0045-2068. E-ISSN 1090-2120
R&D Projects: GA ČR(CZ) GA23-05146S
Institutional support: RVO:61388963 ; RVO:67985858
Keywords : saccharides * NMR spectroscopy * conformation * DFT calculations * fluorine
OECD category: Organic chemistry (UCHP-M)
Impact factor: 5.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.bioorg.2024.107388
Permanent Link: https://hdl.handle.net/11104/0353409File Download Size Commentary Version Access 1-s2.0-S0045206824002931-main.pdf 0 3.6 MB Publisher’s postprint require - 2.0583934 - ÚOCHB 2025 RIV DE eng J - Journal Article
Dunlop, David - Horváth, P. - Klán, P. - Slanina, Tomáš - Šebej, P.
Central Ring Puckering Enhances the Stokes Shift of Xanthene Dyes.
Chemistry - A European Journal. Roč. 30, č. 19 (2024), č. článku e202400024. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT(CZ) LTC20076
Research Infrastructure: RECETOX RI II - 90269
Institutional support: RVO:61388963
Keywords : conformation * fluorescence * functional dyes * pyronin * quantum chemical calculations * stokes shift * xanthene
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/chem.202400024
Permanent Link: https://hdl.handle.net/11104/0351920 - 3.0582988 - BTÚ 2024 RIV US eng J - Journal Article
Schneider, Bohdan - Sweeney, B. A. - Bateman, A. - Černý, Jiří - Zok, T. - Szachniuk, M.
When will RNA get its AlphaFold moment?
Nucleic Acids Research. Roč. 51, č. 18 (2023), s. 9522-9352. ISSN 0305-1048. E-ISSN 1362-4962
R&D Projects: GA MŠMT(CZ) LM2023055
Research Infrastructure: ELIXIR-CZ II - 90131
Institutional support: RVO:86652036
Keywords : conformation-dependent restraints * 3-dimensional structure * structure prediction * ribosomal-subunit
OECD category: Biochemistry and molecular biology
Impact factor: 14.9, year: 2022
Method of publishing: Open access
https://academic.oup.com/nar/article/51/18/9522/7272628?login=true
Permanent Link: https://hdl.handle.net/11104/0351031 - 4.0572377 - BC 2024 RIV GB eng J - Journal Article
Kascaková, B. - Kotál, Jan - Havlíčková, P. - Vopatková, V. - Prudnikova, T. - Grinkevich, P. - Kutý, M. - Chmelař, J. - Smatanová, I.K.
Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallographica Section D-Structural Biology. Roč. 79, MAY (2023), s. 409-419. ISSN 2059-7983. E-ISSN 2059-7983
Institutional support: RVO:60077344
Keywords : serpins * Iripin-4 * X-ray structure * native conformation * cleaved conformation * Ixodes ricinus
OECD category: Microbiology
Impact factor: 2.2, year: 2022
Method of publishing: Open access
https://scripts.iucr.org/cgi-bin/paper?S2059798323002322
Permanent Link: https://hdl.handle.net/11104/0345554 - 5.0571109 - ÚACH 2024 RIV US eng J - Journal Article
Marco, J. F. - Dávalos-Prado, J. Z. - Hnyk, Drahomír - Holub, Josef - Oña, O. B. - Alcoba, D. R. - Ferrer, M. - Elguero, J. - Lain, L. - Torre, A. - Oliva-Enrich, J. M.
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs.
ACS Omega. Roč. 8, č. 15 (2023), s. 13993-14004. ISSN 2470-1343. E-ISSN 2470-1343
Institutional support: RVO:61388980
Keywords : Anions * Conformation * Energy * Molecular structure * Quantum mechanics
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.1, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342410File Download Size Commentary Version Access Two.pdf 0 8.6 MB CC BY NC ND licence Publisher’s postprint open-access Two SI.pdf 0 1.1 MB CC BY NC ND licence Publisher’s postprint open-access
Research data: ACS Publications - 6.0570978 - FZÚ 2024 RIV US eng J - Journal Article
Katrusiak, A. - Rusek, M. - Dušek, Michal - Petříček, Václav - Szafrański, M.
Dipole-moment modulation in new incommensurate ferrocene.
Journal of Physical Chemistry Letters. Roč. 14, č. 13 (2023), s. 3111-3119. ISSN 1948-7185
R&D Projects: GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : conformation * molecular structure * molecules * phase transitions * sandwich compounds
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 5.7, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342307File Download Size Commentary Version Access 0570978.pdf 0 5.1 MB CC licence Publisher’s postprint open-access - 7.0564237 - MBÚ 2023 RIV DE eng J - Journal Article
Luis Pacheco-Garcia, J. - Loginov, Dmitry Sergej - Naganathan, A. N. - Vaňková, Pavla - Cano-Munoz, M. - Man, Petr - Pey, Angel L.
Loss of stability and unfolding cooperativity in hPGK1 upon gradual structural perturbation of its N-terminal domain hydrophobic core.
Scientific Reports. Roč. 12, č. 1 (2022), č. článku 17200. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA MŠMT(CZ) ED1.1.00/02.0109
EU Projects: European Commission(XE) 731077 - EU_FT-ICR_MS
Research Infrastructure: CIISB II - 90127
Institutional support: RVO:61388971 ; RVO:86652036
Keywords : muscle 3-phosphoglycerate kinase * phosphoglycerate kinase * phosphoglycerate kinase * protein stability * kinetic stability * molecular-basis * denaturation * conformation * flexibility * modulation * ensembles
OECD category: Biochemistry and molecular biology
Impact factor: 4.6, year: 2022
Method of publishing: Open access
https://www.nature.com/articles/s41598-022-22088-1
Permanent Link: https://hdl.handle.net/11104/0335944 - 8.0561354 - FZÚ 2023 RIV US eng J - Journal Article
Hosseinpoor, S. - Pourayoubi, M. - Dušek, Michal - Skořepová, Eliška
A comparative conformational study of (C6H5O)2P(O)(NHC(S)NHCH2C6H5) and analogous X-ray structures: energy calculations (solid-state/gas phase).
Phosphorus, Sulfur and Silicon and the Related Elements. Roč. 197, č. 7 (2022), s. 747-757. ISSN 1042-6507. E-ISSN 1563-5325
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Keywords : N-phosphorylated thiourea * conformation * crystal structure * energy calculation * energy framework * hydrogen bond pattern
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1080/10426507.2021.2021523
Permanent Link: https://hdl.handle.net/11104/0334022 - 9.0557060 - BTÚ 2023 RIV CH eng J - Journal Article
Berman, H. - Lawson, C. - Schneider, Bohdan
Developing Community Resources for Nucleic Acid Structures.
Life. Roč. 12, č. 4 (2022), č. článku 540. E-ISSN 2075-1729
Institutional support: RVO:86652036
Keywords : nucleic acid structures * nucleic acid conformation * biological structure database
OECD category: Biochemistry and molecular biology
Impact factor: 3.2, year: 2022
Method of publishing: Open access
https://www.mdpi.com/2075-1729/12/4/540
Permanent Link: http://hdl.handle.net/11104/0331354 - 10.0549600 - ÚOCHB 2023 RIV NL eng J - Journal Article
Hamissa, Mohamed Farouk - Niederhafner, Petr - Šestáková, Hana - Šafařík, Martin - Hadravová, Romana - Šebestík, Jaroslav
Neutral and charged forms of inubosin B in aqueous solutions at different pH and on the surface of Ag nanoparticles.
Journal of Molecular Structure. Roč. 1250, č. 2 (2022), č. článku 131828. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA ČR(CZ) GA17-00121S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : inubosin B * acridine alkaloids, pKa * NMR spectroscopy * UV–vis spectroscopy * surface enhanced Raman scattering * conformation analysis
OECD category: Physical chemistry
Impact factor: 3.8, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.molstruc.2021.131828
Permanent Link: http://hdl.handle.net/11104/0325579