Search results

  1. 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/11104/0353409
    FileDownloadSizeCommentaryVersionAccess
    1-s2.0-S0045206824002931-main.pdf03.6 MBPublisher’s postprintrequire
     
     
  2. 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. 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. 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. 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/11104/0342410
    FileDownloadSizeCommentaryVersionAccess
    Two.pdf08.6 MBCC BY NC ND licencePublisher’s postprintopen-access
    Two SI.pdf01.1 MBCC BY NC ND licencePublisher’s postprintopen-access
     

    Research data: ACS Publications
     
  6. 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/11104/0342307
    FileDownloadSizeCommentaryVersionAccess
    0570978.pdf05.1 MBCC licencePublisher’s postprintopen-access
     
     
  7. 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. 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. 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. 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
     
     

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