Search results
- 1.0578599 - ÚOCHB 2024 RIV CH eng J - Journal Article
Tanaka, Y. - Yamanaka, D. - Morioka, S. - Yamaguchi, T. - Morikawa, M. - Kodama, T. S. - Sychrovský, Vladimír - Kojima, C. - Hattori, Y.
Physicochemical Characterization of the Catalytic Unit of Hammerhead Ribozyme and Its Relationship with the Catalytic Activity.
Biophysica. Roč. 2, č. 3 (2022), s. 221-239. E-ISSN 2673-4125
Institutional support: RVO:61388963
Keywords : hammerhead ribozyme * mechanism * pKa * pH-titration * NMR spectroscopy * G12 * G10.1
OECD category: Biophysics
Method of publishing: Open access
https://doi.org/10.3390/biophysica2030022
Permanent Link: https://hdl.handle.net/11104/0347566 - 2.0563907 - ÚOCHB 2023 RIV GB eng J - Journal Article
Sebechlebská, T. - Kolivoška, V. - Šebera, Jakub - Fukal, Jiří - Řeha, D. - Buděšínský, Miloš - Rosenberg, Ivan - Bednárová, Lucie - Gasior, J. - Mészáros, G. - Hromadová, M. - Sychrovský, Vladimír
Additive transport in DNA molecular circuits.
Journal of Materials Chemistry C. Roč. 10, č. 33 (2022), s. 12022-12031. ISSN 2050-7526. E-ISSN 2050-7534
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963
Keywords : photoinduced electron-transfer * HG-II-T * charge-transport
OECD category: Biophysics
Impact factor: 6.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D2TC01219G
Permanent Link: https://hdl.handle.net/11104/0335690 - 3.0562866 - ÚOCHB 2023 RIV US eng J - Journal Article
Fukal, Jiří - Zgarbová, M. - Jurečka, P. - Šebera, Jakub - Sychrovský, Vladimír
Probabilistic Interpretation of NMR J-Couplings Determines BI-BII State Equilibria in DNA.
Journal of Chemical Theory and Computation. Roč. 18, č. 11 (2022), s. 6989-6999. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA19-13436S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : molecular dynamics simulations * phosphorus chemical shifts * nucleic acid backbone
OECD category: Biophysics
Impact factor: 5.5, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jctc.2c00733
Permanent Link: https://hdl.handle.net/11104/0335048 - 4.0558152 - ÚOCHB 2023 RIV US eng J - Journal Article
Holovský, J. - Šebera, Jakub - Sychrovský, Vladimír - Zemen, J. - De Wolf, S. - Ballif, C.
Quantitative Analysis of Nanorough Hydrogenated Si(111) Surfaces through Vibrational Spectral Assignment by Periodic DFT Calculations.
Journal of Physical Chemistry C. Roč. 126, č. 19 (2022), s. 8278-8286. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963
Keywords : H-terminated Si(111) * dissolved oxygen * infrared spectroscopy
OECD category: Physical chemistry
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.1c09766
Permanent Link: http://hdl.handle.net/11104/0331950 - 5.0550069 - ÚOCHB 2023 RIV GB eng J - Journal Article
Nešpůrek, S. - Kuberský, P. - Polanský, R. - Trchová, M. - Šebera, Jakub - Sychrovský, Vladimír
Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field.
Physical Chemistry Chemical Physics. Roč. 24, č. 1 (2022), s. 541-550. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963
Keywords : Raman spectroscopy * DFT * PEDOT:PSS
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D1CP03899K
Permanent Link: http://hdl.handle.net/11104/0325920 - 6.0547591 - ÚOCHB 2023 RIV US eng J - Journal Article
Fukal, Jiří - Buděšínský, Miloš - Páv, Ondřej - Jurečka, P. - Zgarbová, M. - Šebera, Jakub - Sychrovský, Vladimír
The Ad-MD method to calculate NMR shift including effects due to conformational dynamics: The 31P NMR shift in DNA.
Journal of Computational Chemistry. Roč. 43, č. 2 (2022), s. 132-143. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GA19-13436S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : 31P NMR shift * DNA phosphate * MD averaging
OECD category: Biophysics
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/jcc.26778
Permanent Link: http://hdl.handle.net/11104/0323804 - 7.0542449 - ÚOCHB 2022 RIV US eng J - Journal Article
Šebera, Jakub - Zemen, J. - Jirásek, Vít - Holovský, Jakub - Sychrovský, Vladimír
FTIR Measurement of the Hydrogenated Si(100) Surface: The Structure-Vibrational Interpretation by Means of Periodic DFT Calculation.
Journal of Physical Chemistry C. Roč. 125, č. 17 (2021), s. 9219-9228. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA18-24268S
Institutional support: RVO:61388963 ; RVO:61389021 ; RVO:68378271
Keywords : periodic DFT * infrared spectroscopy * Si-surface
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect); Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 4.177, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.0c11176
Permanent Link: http://hdl.handle.net/11104/0319859 - 8.0533113 - ÚOCHB 2021 RIV DE eng J - Journal Article
Giassa, I.C. - Vavrinská, A. - Zelinka, J. - Šebera, Jakub - Sychrovský, Vladimír - Boelens, R. - Fiala, R. - Trantírek, L.
HERMES – A Software Tool for the Prediction and Analysis of Magnetic-Field-Induced Residual Dipolar Couplings in Nucleic Acids.
ChemPlusChem. Roč. 85, č. 9 (2020), s. 2177-2185. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA19-13436S
Institutional support: RVO:61388963
Keywords : field-induced residual dipolar couplings * magnetic susceptibility anisotropy * NMR * nucleic acids * prediction software
OECD category: Physical chemistry
Impact factor: 2.863, year: 2020
Method of publishing: Limited access
https://doi.org/10.1002/cplu.202000505
Permanent Link: http://hdl.handle.net/11104/0311738 - 9.0524100 - ÚOCHB 2021 RIV US eng J - Journal Article
Šebera, Jakub - Řeha, David - Fukal, Jiří - Sychrovský, Vladimír
Interstrand Charge Transport within Metallo-DNA: the Effect Due to Hg(II)- and Ag(I)-Mediated Base Pairs.
Journal of Physical Chemistry C. Roč. 124, č. 13 (2020), s. 7477-7486. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963 ; RVO:61388971
Keywords : excess electron transfer * Hg(II)-T * crystal structure
OECD category: Physical chemistry
Impact factor: 4.126, year: 2020
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcc.9b12020
Permanent Link: http://hdl.handle.net/11104/0308440 - 10.0523810 - ÚOCHB 2021 RIV US eng J - Journal Article
Šebesta, F. - Šebera, Jakub - Sychrovský, Vladimír - Tanaka, Y. - Burda, J. V.
QM and QM/MM umbrella sampling MD study of the formation of Hg(II)–thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH.
Journal of Computational Chemistry. Roč. 41, č. 16 (2020), s. 1509-1520. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GA18-14990S
Institutional support: RVO:61388963
Keywords : ab initio molecular dynamics (MD) simulations * metal–NA base interactions * QM/MM calculations * thermodynamics
OECD category: Physical chemistry
Impact factor: 3.376, year: 2020
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.26194
Permanent Link: http://hdl.handle.net/11104/0308102