Search results
- 1.0563907 - 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 - 2.0562866 - 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 - 3.0547591 - 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 - 4.0524100 - 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 - 5.0507296 - ÚOCHB 2020 RIV GB eng J - Journal Article
Fukal, Jiří - Páv, Ondřej - Buděšínský, Miloš - Rosenberg, Ivan - Šebera, Jakub - Sychrovský, Vladimír
Structural interpretation of the 31P NMR chemical shifts in thiophosphate and phosphate: key effects due to spin-orbit and explicit solvent.
Physical Chemistry Chemical Physics. Roč. 21, č. 19 (2019), s. 9924-9934. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA19-13436S
Institutional support: RVO:61388963
Keywords : correlated molecular calculations * density functional methods * Gaussian basis sets
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2019/CP/C9CP01460H#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0298312 - 6.0483858 - ÚOCHB 2018 RIV GB eng J - Journal Article
Fukal, Jiří - Páv, Ondřej - Buděšínský, Miloš - Šebera, Jakub - Sychrovský, Vladimír
The benchmark of P-31 NMR parameters in phosphate: a case study on structurally constrained and flexible phosphate.
Physical Chemistry Chemical Physics. Roč. 19, č. 47 (2017), s. 31830-31841. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA16-00270S; GA ČR GA13-26526S
Institutional support: RVO:61388963
Keywords : phosphate * MD * DFT * NMR
OECD category: Physical chemistry
Impact factor: 3.906, year: 2017
http://pubs.rsc.org/en/content/articlepdf/2017/cp/c7cp06969c
Permanent Link: http://hdl.handle.net/11104/0279021 - 7.0458784 - ÚOCHB 2017 RIV US eng J - Journal Article
Dračínský, Martin - Šála, Michal - Klepetářová, Blanka - Šebera, Jakub - Fukal, Jiří - Holečková, Veronika - Tanaka, Y. - Nencka, Radim - Sychrovský, Vladimír
Benchmark Theoretical and Experimental Study on N-15 NMR Shifts of Oxidatively Damaged Guanine.
Journal of Physical Chemistry B. Roč. 120, č. 5 (2016), s. 915-925. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA13-27676S; GA ČR GA15-11223S
Institutional support: RVO:61388963
Keywords : NMR spectroscopy * DFT calculations * oxidatively damaged guanine * hOGG1
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.177, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259021