Search results
- 1.0583469 - BFÚ 2024 RIV IE eng J - Journal Article
Bresciani, G. - Červinka, Jakub - Kostrhunová, Hana - Biancalana, L. - Bortoluzzi, M. - Pampaloni, G. - Novohradský, Vojtěch - Brabec, Viktor - Marchetti, F. - Kašpárková, Jana
N-Indolyl diiron vinyliminium complexes exhibit antiproliferative effects in cancer cells associated with disruption of mitochondrial homeostasis, ROS scavenging, and antioxidant activity.
Chemico-Biological Interactions. Roč. 385, NOV 1 2023 (2023), č. článku 110742. ISSN 0009-2797. E-ISSN 1872-7786
R&D Projects: GA ČR(CZ) GA23-06316S
Institutional support: RVO:68081707
Keywords : basis-sets * mechanisms * cisplatin * molecules * drugs * oxaliplatin * insertion * energies
OECD category: Biochemistry and molecular biology
Impact factor: 5.1, year: 2022
Method of publishing: Open access
https://www.sciencedirect.com/science/article/pii/S000927972300409X?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0351439 - 2.0582928 - ÚOCHB 2025 RIV US eng J - Journal Article
Pecina, Adam - Fanfrlík, Jindřich - Lepšík, Martin - Řezáč, Jan
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes.
Nature Communications. Roč. 15, February (2024), č. článku 1127. E-ISSN 2041-1723
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : NDDO approximations * free-energies * docking
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1038/s41467-024-45431-8
Permanent Link: https://hdl.handle.net/11104/0350971
Research data: ZENODO - 3.0582241 - FZÚ 2024 RIV NL eng C - Conference Paper (international conference)
Abreu, A. - Aglietta, M. - Albury, J.M. - Bakalová, Alena - Blažek, Jiří - Boháčová, Martina - Chudoba, Jiří - Ebr, Jan - Hamal, Petr - Janeček, Petr - Juryšek, Jakub - Mandát, Dušan - Müller, Ana Laura - Palatka, Miroslav - Pech, Miroslav - Prouza, Michael - Řídký, Jan - dos Santos, Eva M. Martins - Schovánek, Petr - Stadelmaier, Maximilian Klaus - Tobiška, Petr - Trávníček, Petr - Vícha, Jakub - Yushkov, Alexey … Total 364 authors
Probing hadronic interaction models with the hybrid data of the Pierre Auger Observatory.
SciPost Physics Proceedings. Vol. 13. Amsterdam: SciPost Foundation, 2023, č. článku 26. ISSN 2666-4003.
[International Symposium on Very High Energy Cosmic Ray Interactions (ISVHECRI 2022) /21./. Online (IN), 23.05.2022-28.05.2022]
R&D Projects: GA MŠMT LTT18004; GA MŠMT(CZ) EF18_046/0016010; GA MŠMT EF16_013/0001402
Research Infrastructure: AUGER-CZ II - 90102
Institutional support: RVO:68378271
Keywords : hadronic interactions * ultra-high energies
OECD category: Particles and field physics
https://scipost.org/SciPostPhysProc.13.026/pdf
Permanent Link: https://hdl.handle.net/11104/0350558 - 4.0576563 - ÚTIA 2024 RIV US eng J - Journal Article
Bresciani, M. - Kružík, Martin
A Reduced Model for Plates Arising as Low-Energy Gamma-Limit in Nonlinear Magnetoelasticity.
SIAM Journal on Mathematical Analysis. Roč. 55, č. 4 (2023), s. 3108-3168. ISSN 0036-1410. E-ISSN 1095-7154
R&D Projects: GA MŠMT 8J19AT013; GA MŠMT 8J22AT017; GA ČR(CZ) GF19-29646L
Institutional support: RVO:67985556
Keywords : magnetoelasticity * Eulerian-Lagrangian energies * dimension reduction * Gamma-convergencerate-independent processes * evolutionary Gamma-convergence
OECD category: Pure mathematics
Impact factor: 2, year: 2022
Method of publishing: Limited access
http://library.utia.cas.cz/separaty/2023/MTR/kruzik-0576563.pdf https://epubs.siam.org/doi/10.1137/21M1446836
Permanent Link: https://hdl.handle.net/11104/0346493 - 5.0575698 - ÚOCHB 2024 RIV GB eng J - Journal Article
Lončarić, Doroteja - Movahedifar, F. - Štoček, Jakub Radek - Dračínský, Martin - Cvačka, Josef - Guan, S. - Bythell, B. J. - Císařová, I. - Masson, E. - Kaleta, Jiří
Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.
Chemical Science. Roč. 14, č. 35 (2023), s. 9258-9266. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA20-13745S; GA MŠMT(CZ) LTAUSA19120
Institutional support: RVO:61388963
Keywords : solvation free-energies * crystal structures * model
OECD category: Organic chemistry
Impact factor: 8.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D3SC02032K
Permanent Link: https://hdl.handle.net/11104/0345437 - 6.0571449 - ÚOCHB 2024 RIV GB eng J - Journal Article
Kontkanen, O. V. - Biriukov, Denys - Futera, Z.
Applicability of perturbed matrix method for charge transfer studies at bio/metallic interfaces: a case of azurin.
Physical Chemistry Chemical Physics. Roč. 25, č. 17 (2023), s. 12479-12489. ISSN 1463-9076. E-ISSN 1463-9084
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : biological electron transfer * density functional theory * reorganization free energies
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D3CP00197K
Permanent Link: https://hdl.handle.net/11104/0342666 - 7.0571159 - ÚEB 2024 RIV GB eng J - Journal Article
Polo-Cuadrado, E. - Ferrer, Karoll - Osorio, E. - Brito, I. - Cisterna, J. - Espinoza, L. - Alderete, J. B. - Gutiérrez, M.
Piperonal chalcone derivative incorporating the pyrazolo[3,4-b]pyridine moiety, crystal structure, spectroscopic characterization and quantum chemical investigations.
RSC Advances. Roč. 13, č. 8 (2023), s. 5197-5207. E-ISSN 2046-2069
Institutional support: RVO:61389030
Keywords : NONLINEAR-OPTICAL-PROPERTIES * MOLECULAR-ENERGIES * GROWTH
OECD category: Organic chemistry
Impact factor: 3.9, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/d2ra08101f
Permanent Link: https://hdl.handle.net/11104/0342444File Download Size Commentary Version Access 2023_Polo-Cuadrado_RSC ADVANCES_5197.pdf 1 2.9 MB Other open-access - 8.0570995 - ÚFCH JH 2024 RIV US eng J - Journal Article
Civiš, Svatopluk - Lamanec, M. - Špirko, V. - Kubišta, Jiří - Špeťko, M. - Hobza, P.
Hydrogen Bonding with Hydridic Hydrogen–Experimental Low-Temperature IR and Computational Study: Is a Revised Definition of Hydrogen Bonding Appropriate?
Journal of the American Chemical Society. Roč. 145, č. 15 (2023), s. 8550-8559. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT EF16_019/0000778
Grant - others:ERDF(CZ) CZ.02.1.01/0.0/0.0/16_019/0000778
Institutional support: RVO:61388955
Keywords : Hydrogen * Interaction energies * Noncovalent interactions
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342321File Download Size Commentary Version Access 0570995.pdf 4 4.5 MB open access Publisher’s postprint open-access - 9.0570656 - ÚOCHB 2024 RIV GB eng J - Journal Article
Schrenková, Věra - Para Kkadan, Mohammed Siddhique - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Molecular dynamics and Raman optical activity spectra reveal nucleotide conformation ratios in solution.
Physical Chemistry Chemical Physics. Roč. 25, č. 11 (2023), s. 8198-8208. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA22-04669S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * nucleic acids * free energies
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D2CP05756E
Permanent Link: https://hdl.handle.net/11104/0341979 - 10.0568848 - FZÚ 2023 RIV IT eng C - Conference Paper (international conference)
Abdalla, H. - Abe, H. - Abe, S. - Araudo, Anabella Teresa - Blažek, Jiří - Boháčová, Martina - Chudoba, Jiří - Ebr, Jan - Hamal, Petr - Havelka, Matěj - Janeček, Petr - Mandát, Dušan - Palatka, Miroslav - Pech, Miroslav - Prouza, Michael - Schovánek, Petr - Trávníček, Petr - Vícha, Jakub - Vraštil, Michal … Total 1344 authors
Performance of the Cherenkov Telescope Array in the presence of clouds.
Proceedings of Science. Vol. 395. Trieste: Sissa Medilab srl, 2022, č. článku 773. ISSN 1824-8039.
[International Cosmic Ray Conference (ICRC2021) /37./. Berlin (DE), 12.07.2021-23.07.2021]
Research Infrastructure: CTA-CZ II - 90105
Institutional support: RVO:68378271
Keywords : very high energies * air showers
OECD category: Particles and field physics
https://pos.sissa.it/395/773/pdf
Permanent Link: https://hdl.handle.net/11104/0340113