Search results
- 1.0583028 - MBÚ 2024 RIV US eng J - Journal Article
Wan, J. - Nytka, M. - Qian, H. - Vu, K. - Lemr, Karel - Tureček, F.
Nitrile Imines as Peptide and Oligonucleotide Photo-Cross-Linkers in Gas-Phase Ions.
Journal of the American Society for Mass Spectrometry. Roč. 35, č. 2 (2024), s. 344-356. ISSN 1044-0305. E-ISSN 1879-1123
Institutional support: RVO:61388971
Keywords : 1,3-dipolar cycloaddition * noncovalent interactions * molecular-dynamics * bond formation * linking * dispersion * complexes * efficient * charges * binding
OECD category: Microbiology
Impact factor: 3.2, year: 2022
Method of publishing: Limited access
https://pubs.acs.org/doi/epdf/10.1021/jasms.3c00379
Permanent Link: https://hdl.handle.net/11104/0351649 - 2.0580115 - ÚMCH 2025 RIV CH eng J - Journal Article
Czernek, Jiří - Brus, Jiří
Reliable dimerization energies for modeling of supramolecular junctions.
International Journal of Molecular Sciences. Roč. 25, č. 1 (2024), č. článku 602. E-ISSN 1422-0067
R&D Projects: GA ČR(CZ) GA23-05293S
Institutional support: RVO:61389013
Keywords : noncovalent interactions * supramolecular junctions * interaction energy
OECD category: Physical chemistry
Impact factor: 5.6, year: 2022
Method of publishing: Open access
https://www.mdpi.com/1422-0067/25/1/602
Permanent Link: https://hdl.handle.net/11104/0350061 - 3.0579582 - ÚOCHB 2024 RIV US eng J - Journal Article
Beran, G. J. O. - Greenwell, C. - Cook, C. - Řezáč, Jan
Improved Description of Intra- and Intermolecular Interactions through Dispersion-Corrected Second-Order Møller-Plesset Perturbation Theory.
Accounts of Chemical Research. Roč. 56, č. 23 (2023), s. 3525-3534. ISSN 0001-4842. E-ISSN 1520-4898
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : density functional theory * crystal structure prediction * noncovalent interactions
OECD category: Physical chemistry
Impact factor: 18.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.accounts.3c00578
Permanent Link: https://hdl.handle.net/11104/0348393 - 4.0572517 - ÚMCH 2024 RIV CH eng J - Journal Article
Czernek, Jiří - Brus, Jiří - Czerneková, Vladimíra - Kobera, Libor
Quantifying the intrinsic strength of C–H⋯O intermolecular interactions.
Molecules. Roč. 28, č. 11 (2023), č. článku 4478. E-ISSN 1420-3049
R&D Projects: GA ČR(CZ) GA22-03187S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61389013 ; RVO:68378271
Keywords : hydrogen bonding * noncovalent interactions * CCSD(T)
OECD category: Polymer science; Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 4.6, year: 2022
Method of publishing: Open access
https://www.mdpi.com/1420-3049/28/11/4478
Permanent Link: https://hdl.handle.net/11104/0343664 - 5.0570995 - 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 - 6.0565363 - ÚMCH 2023 RIV CH eng J - Journal Article
Czernek, Jiří - Brus, Jiří - Czerneková, Vladimíra
A cost effective scheme for the highly accurate description of intermolecular binding in large complexes.
International Journal of Molecular Sciences. Roč. 23, č. 24 (2022), č. článku 15773. E-ISSN 1422-0067
R&D Projects: GA ČR(CZ) GA20-01233S
Institutional support: RVO:61389013 ; RVO:68378271
Keywords : noncovalent interactions * intermolecular binding * CCSD(T)
OECD category: Polymer science; Inorganic and nuclear chemistry (FZU-D)
Impact factor: 5.6, year: 2022
Method of publishing: Open access
https://www.mdpi.com/1422-0067/23/24/15773
Permanent Link: https://hdl.handle.net/11104/0337173 - 7.0557643 - ÚMCH 2023 RIV US eng J - Journal Article
Czernek, Jiří - Brus, Jiří - Czerneková, Vladimíra
A computational inspection of the dissociation energy of mid-sized organic dimers.
Journal of Chemical Physics. Roč. 156, č. 20 (2022), č. článku 204303. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA20-01233S
Research Infrastructure: e-INFRA CZ - 90140; ELIXIR-CZ - 90047
Institutional support: RVO:61389013 ; RVO:68378271
Keywords : noncovalent interactions * dissociation energy * DFT-D
OECD category: Polymer science; Physical chemistry (FZU-D)
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://aip.scitation.org/doi/10.1063/5.0093557
Permanent Link: http://hdl.handle.net/11104/0331913 - 8.0542020 - ÚOCHB 2022 RIV GB eng J - Journal Article
Dostál, Jiří - Brynda, Jiří - Vaňková, Lucie - Zia, S. R. - Pichová, Iva - Heidingsfeld, Olga - Lepšík, Martin
Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis.
Journal of Enzyme Inhibition and Medicinal Chemistry. Roč. 36, č. 1 (2021), s. 914-921. ISSN 1475-6366. E-ISSN 1475-6374
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963 ; RVO:86652036
Keywords : inhibitor * crystal structure * peptidomimetics * hydrogen bonds * noncovalent interactions
OECD category: Organic chemistry
Impact factor: 5.756, year: 2021
Method of publishing: Open access
https://doi.org/10.1080/14756366.2021.1906664
Permanent Link: http://hdl.handle.net/11104/0319514 - 9.0538655 - ÚOCHB 2021 CZ eng A - Abstract
Šolínová, Veronika - Žáková, Lenka - Jiráček, Jiří - Kašička, Václav
Partial filling affinity capillary electrophoresis applied to the study of noncovalent interactions of human insulin with biolgically relevant ligands.
Czech Chemical Society Symposium Series. Roč. 18, č. 3 (2020), s. 83. ISSN 2336-7202.
[Sjezd českých a slovenských chemických společností /72./. 06.09.2020-09.09.2020, Praha]
R&D Projects: GA ČR(CZ) GA18-02597S
Institutional support: RVO:61388963
Keywords : affinity capillary electrophoresis * human insulin * noncovalent interactions
OECD category: Analytical chemistry
https://sjezd72.csch.cz/wp-content/uploads/2020/09/Sjezd-Praha-2020-tisk.pdf
Permanent Link: http://hdl.handle.net/11104/0316946 - 10.0536135 - BFÚ 2021 RIV NL eng J - Journal Article
Školáková, Petra - Badri, Z. - Foldynová-Trantírková, Silvie - Ryneš, J. - Šponer, Jiří - Fojtová, Miloslava - Fajkus, Jiří - Marek, R. - Vorlíčková, Michaela - Mergny, Jean-Louis - Trantírek, L.
Composite 5-methylations of cytosines modulate i-motif stability in a sequence-specific manner: Implications for DNA nanotechnology and epigenetic regulation of plant telomeric DNA.
Biochimica et Biophysica Acta-General Subjects. Roč. 1864, č. 9 (2020), č. článku 129651. ISSN 0304-4165. E-ISSN 1872-8006
R&D Projects: GA MŠMT EF15_003/0000477; GA ČR(CZ) GA19-17063S
Institutional support: RVO:68081707
Keywords : base-pairing energies * promoter region * g-quadruplex * noncovalent interactions * thermal-stability * molecular switch * rational design
OECD category: Biochemistry and molecular biology
Impact factor: 3.770, year: 2020
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S030441652030163X?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0313957