Search results
- 1.0560534 - ÚOCHB 2023 RIV US eng J - Journal Article
Kalvoda, Tadeáš - Culka, Martin - Rulíšek, Lubomír - Andris, Erik
Exhaustive Mapping of the Conformational Space of Natural Dipeptides by the DFT-D3//COSMO-RS Method.
Journal of Physical Chemistry B. Roč. 126, č. 32 (2022), s. 5949-5958. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA20-08772S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : protein structure * alanine * energy
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.2c02861
Permanent Link: https://hdl.handle.net/11104/0333407
Research data: Figshare - 2.0557865 - ÚOCHB 2023 RIV DE eng J - Journal Article
Sauser, L. - Kalvoda, Tadeáš - Kavas, A. - Rulíšek, Lubomír - Shoshan, M. S.
Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification.
ChemMedChem. Roč. 17, č. 15 (2022), č. článku e202200152. ISSN 1860-7179. E-ISSN 1860-7187
R&D Projects: GA ČR(CZ) GA20-08772S
Institutional support: RVO:61388963
Keywords : lead * peptides * chelates * glutathione * bioinoganic chemistry
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/cmdc.202200152
Permanent Link: http://hdl.handle.net/11104/0331712 - 3.0556414 - BTÚ 2022 RIV US eng J - Journal Article
Aliakbar Tehrani, Zahra - Rulíšek, Lubomír - Černý, Jiří
Molecular dynamics simulations provide structural insight into binding of cyclic dinucleotides to human STING protein.
Journal of Biomolecular Structure & Dynamics. JUN 2021, JUN 2021 (2021), č. článku 2021-07-12. ISSN 0739-1102
R&D Projects: GA MŠMT(CZ) EF16_013/0001777; GA MŠMT(CZ) ED1.1.00/02.0109; GA MŠMT(CZ) LM2018131; GA MŠMT(CZ) EF16_013/0001776; GA ČR(CZ) GA20-08772S
Research Infrastructure: CESNET II - 90042
Institutional support: RVO:86652036 ; RVO:61388963
Keywords : NETWORK ANALYSIS * INTERFERON GENES * LIGAND * RECOGNITION
OECD category: Biochemistry and molecular biology
Impact factor: 5.235, year: 2021
Method of publishing: Limited access
https://www.tandfonline.com/doi/full/10.1080/07391102.2021.1942213
Permanent Link: http://hdl.handle.net/11104/0330635 - 4.0549413 - ÚOCHB 2022 RIV US eng J - Journal Article
Novotná, Barbora - Holá, Lucie - Staś, Monika - Gutten, Ondrej - Smola, Miroslav - Zavřel, Martin - Vavřina, Zdeněk - Buděšínský, Miloš - Liboska, Radek - Chevrier, Florian - Dobiaš, Juraj - Bouřa, Evžen - Rulíšek, Lubomír - Birkuš, Gabriel
Enzymatic Synthesis of 3′-5′, 3′-5′ Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
Biochemistry. Roč. 60, č. 48 (2021), s. 3714-3727. ISSN 0006-2960
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-08772S
Institutional support: RVO:61388963
Keywords : cytosolic DNA sensor * c-di-GMP * structural analysis
OECD category: Biochemistry and molecular biology
Impact factor: 3.321, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.biochem.1c00692
Permanent Link: http://hdl.handle.net/11104/0325428 - 5.0543611 - ÚOCHB 2022 RIV US eng J - Journal Article
Pimková Polidarová, Markéta - Břehová, Petra - Kaiser, Martin Maxmilian - Smola, Miroslav - Dračínský, Martin - Smith, Joshua - Marek, Aleš - Dejmek, Milan - Šála, Michal - Gutten, Ondrej - Rulíšek, Lubomír - Novotná, Barbora - Brázdová, Andrea - Janeba, Zlatko - Nencka, Radim - Bouřa, Evžen - Páv, Ondřej - Birkuš, Gabriel
Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3′,3′-c-Di(2′F,2′dAMP).
Journal of Medicinal Chemistry. Roč. 64, č. 11 (2021), s. 7596-7616. ISSN 0022-2623. E-ISSN 1520-4804
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-08772S
Institutional support: RVO:61388963
Keywords : DNA sensor * interferon genes * cyclic GMP-AMP
OECD category: Medicinal chemistry
Impact factor: 8.039, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jmedchem.1c00301
Permanent Link: http://hdl.handle.net/11104/0320799 - 6.0542235 - ÚOCHB 2022 RIV DE eng J - Journal Article
Mohammed, T. A. - Meier, C. M. - Kalvoda, Tadeáš - Kalt, M. - Rulíšek, Lubomír - Shoshan, M. S.
Potent Cyclic Tetrapeptide for Lead Detoxification.
Angewandte Chemie - International Edition. Roč. 60, č. 22 (2021), s. 12381-12385. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA20-08772S
Institutional support: RVO:61388963
Keywords : chelation therapy * lead poisoning * metal selectivity * peptides * rational design
OECD category: Physical chemistry
Impact factor: 16.823, year: 2021
Method of publishing: Limited access
https://doi.org/10.1002/anie.202103217
Permanent Link: http://hdl.handle.net/11104/0319700 - 7.0542023 - ÚOCHB 2022 RIV US eng J - Journal Article
Culka, Martin - Kalvoda, Tadeáš - Gutten, Ondrej - Rulíšek, Lubomír
Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains?
Journal of Physical Chemistry B. Roč. 125, č. 1 (2021), s. 58-69. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA20-08772S
Institutional support: RVO:61388963
Keywords : protein structure * quantum chemistry * energy
OECD category: Physical chemistry
Impact factor: 3.466, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.0c09251
Permanent Link: http://hdl.handle.net/11104/0319519
Research data: OSF - 8.0541696 - ÚOCHB 2022 RIV GB eng J - Journal Article
Gutten, Ondrej - Jurečka, P. - Tehrani, Zahra Aliakbar - Buděšínský, Miloš - Řezáč, Jan - Rulíšek, Lubomír
Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments.
Physical Chemistry Chemical Physics. Roč. 23, č. 12 (2021), s. 7280-7294. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA20-08772S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : benchmarking * computational chemistry * dihedral angle
OECD category: Physical chemistry
Impact factor: 3.945, year: 2021
Method of publishing: Open access
https://doi.org/10.1039/D0CP05993E
Permanent Link: http://hdl.handle.net/11104/0319224 - 9.0541558 - ÚOCHB 2022 RIV DE eng J - Journal Article
Smola, Miroslav - Gutten, Ondrej - Dejmek, Milan - Kožíšek, Milan - Evangelidis, Thomas - Tehrani, Zahra Aliakbar - Novotná, Barbora - Nencka, Radim - Birkuš, Gabriel - Rulíšek, Lubomír - Bouřa, Evžen
Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angewandte Chemie - International Edition. Roč. 60, č. 18 (2021), s. 10172-10178. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA20-08772S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : conformational analysis * cyclic dinucleotides * entropy * quantum chemistry * strain energy
OECD category: Physical chemistry
Impact factor: 16.823, year: 2021
Method of publishing: Open access
https://doi.org/10.1002/anie.202016805
Permanent Link: http://hdl.handle.net/11104/0319101 - 10.0541319 - ÚOCHB 2022 RIV US eng J - Journal Article
Vavřina, Zdeněk - Gutten, Ondrej - Smola, Miroslav - Zavřel, Martin - Tehrani, Zahra Aliakbar - Charvát, Vilém - Kožíšek, Milan - Bouřa, Evžen - Birkuš, Gabriel - Rulíšek, Lubomír
Protein-Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory.
Biochemistry. Roč. 60, č. 8 (2021), s. 607-620. ISSN 0006-2960
R&D Projects: GA ČR(CZ) GA20-08772S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : ligand-binding * STING protein * structural biology * QM/MM calculations
OECD category: Biochemistry and molecular biology
Impact factor: 3.321, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.biochem.0c00949
Permanent Link: http://hdl.handle.net/11104/0318895