Search results
- 1.0586380 - ÚOCHB 2025 RIV GB eng J - Journal Article
Sklenář, Adam - Růžičková, Lucie - Schrenková, Věra - Bednárová, Lucie - Pazderková, Markéta - Chatziadi, A. - Zmeškalová Skořepová, Eliška - Šoóš, M. - Kaminský, Jakub
Solid-state vibrational circular dichroism for pharmaceutical applications: Polymorphs and cocrystal of sofosbuvir.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 318, October (2024), č. článku 124478. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA MŠMT LTAUSA18085; GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA24-10558S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963 ; RVO:68378271
Keywords : vibrational circular dichroism * solid-state * amino acids * hydroxy acids * sofosbuvir * polymorphs
OECD category: Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.124478
Permanent Link: https://hdl.handle.net/11104/0353923 - 2.0580580 - ÚOCHB 2025 RIV NL eng J - Journal Article
Choutka, Jan - Parkan, Kamil - Pohl, Radek - Kaminský, Jakub
On the origin of the electronic and magnetic circular dichroism of naphthyl C-glycosides: Anomeric configuration.
Carbohydrate Research. Roč. 535, January (2024), č. článku 109021. ISSN 0008-6215. E-ISSN 1873-426X
R&D Projects: GA MŠMT LTAUSA18085; GA ČR(CZ) GA22-17586S
Research Infrastructure: CESNET II - 90042; CERIT-SC - 90085
Institutional support: RVO:61388963
Keywords : electronic circular dichroism * magnetic circular dichroism * aryl C-glycosides * anomeric configuration * conformations
OECD category: Physical chemistry
Impact factor: 3.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.carres.2023.109021
Permanent Link: https://hdl.handle.net/11104/0349343
Research data: OSF - 3.0565748 - ÚOCHB 2023 RIV CH eng J - Journal Article
Rzepiela, K. - Kaminský, Jakub - Buczek, A. - Broda, M. A. - Kupka, T.
Electron Correlation or Basis Set Quality: How to Obtain Converged and Accurate NMR Shieldings for the Third-Row Elements?
Molecules. Roč. 27, č. 23 (2022), č. článku 8230. E-ISSN 1420-3049
R&D Projects: GA MŠMT LTAUSA18085; GA ČR(CZ) GA22-17586S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : NMR shieldings * basis set dependence * third-row elements
OECD category: Physical chemistry
Impact factor: 4.6, year: 2022
Method of publishing: Open access
https://doi.org/10.3390/molecules27238230
Permanent Link: https://hdl.handle.net/11104/0337257File Download Size Commentary Version Access 10.3390molecules27238230.pdf 1 1.1 MB Publisher’s postprint open-access - 4.0556184 - ÚOCHB 2023 RIV GB eng J - Journal Article
Lubos, Marta - Mrázková, Lucie - Gwozdiaková, Petra - Pícha, Jan - Buděšínský, Miloš - Jiráček, Jiří - Kaminský, Jakub - Žáková, Lenka
Functional stapled fragments of human preptin of minimised length.
Organic & Biomolecular Chemistry. Roč. 20, č. 12 (2022), s. 2446-2454. ISSN 1477-0520. E-ISSN 1477-0539
R&D Projects: GA ČR(CZ) GA19-14069S; GA MŠMT(CZ) EF16_019/0000729; GA MŠMT LTAUSA18085
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : alpha-helical peptides * secondary structure * force field
OECD category: Biochemistry and molecular biology
Impact factor: 3.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D1OB02193A
Permanent Link: http://hdl.handle.net/11104/0331047 - 5.0553763 - ÚOCHB 2023 RIV DE eng J - Journal Article
Alonso-Gil, S. - Parkan, K. - Kaminský, Jakub - Pohl, Radek - Miyazaki, T.
Unlocking the Hydrolytic Mechanism of GH92 α-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Chemistry - A European Journal. Roč. 28, č. 14 (2022), č. článku e202200148. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT LTAUSA18085
Institutional support: RVO:61388963
Keywords : carbohydrates * conformations * enzymology * inhibitors * quantum mechanics
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/chem.202200148
Permanent Link: http://hdl.handle.net/11104/0328491 - 6.0547276 - ÚOCHB 2022 RIV US eng J - Journal Article
Kaminský, Jakub - Horáčková, Františka - Biačková, Nina - Hubáčková, Tereza - Socha, Ondřej - Kubelka, J.
Double Hydrogen Bonding Dimerization Propensity of Aqueous Hydroxy Acids Investigated Using Vibrational Optical Activity.
Journal of Physical Chemistry B. Roč. 125, č. 41 (2021), s. 11350-11363. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LTAUSA18085; GA ČR(CZ) GA19-19561S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : circular-dichroism spectra * normal-mode optimization * D-lactic acid
OECD category: Physical chemistry
Impact factor: 3.466, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.1c05480
Permanent Link: http://hdl.handle.net/11104/0323550 - 7.0541262 - ÚOCHB 2022 RIV GB eng J - Journal Article
Kaminský, Jakub - Andrushchenko, Valery - Bouř, Petr
Natural and magnetic circular dichroism spectra of nucleosides: effect of the dynamics and environment.
RSC Advances. Roč. 11, č. 14 (2021), s. 8411-8419. E-ISSN 2046-2069
R&D Projects: GA ČR(CZ) GA20-10144S; GA MŠMT LTAUSA18085; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : nucleosides * magnetic circular dichroism * density functional theory * spectra modelling
OECD category: Physical chemistry
Impact factor: 4.036, year: 2021
Method of publishing: Open access
https://doi.org/10.1039/D1RA00076D
Permanent Link: http://hdl.handle.net/11104/0318852