Hobza P - Search Results

1

Chelating Polymers for Hereditary Hemochromatosis Treatment.

Groborz O, Poláková L, Kolouchová K, Švec P, Loukotová L, Miriyala VM, Francová P, Kučka J, Krijt J, Páral P, Báječný M, Heizer T, Pohl R, Dunlop D, Czernek J, Šefc L, Beneš J, Štěpánek P, Hobza P, Hrubý M. Groborz O, et al. Among authors: hobza p. Macromol Biosci. 2020 Dec;20(12):e2000254. doi: 10.1002/mabi.202000254. Epub 2020 Sep 21. Macromol Biosci. 2020. PMID: 32954629

2

SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design.

Pecina A, Eyrilmez SM, Köprülüoğlu C, Miriyala VM, Lepšík M, Fanfrlík J, Řezáč J, Hobza P. Pecina A, et al. Among authors: hobza p. Chempluschem. 2020 Nov;85(11):2362-2371. doi: 10.1002/cplu.202000120. Epub 2020 Jul 1. Chempluschem. 2020. PMID: 32609421 Review.

3

SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design.

Pecina A, Eyrilmez SM, Köprülüoğlu C, Miriyala VM, Lepšík M, Fanfrlík J, Řezáč J, Hobza P. Pecina A, et al. Among authors: hobza p. Chempluschem. 2020 Nov;85(11):2361. doi: 10.1002/cplu.202000627. Epub 2020 Sep 28. Chempluschem. 2020. PMID: 32986310

4

The stability of covalent dative bond significantly increases with increasing solvent polarity.

Lo R, Manna D, Lamanec M, Dračínský M, Bouř P, Wu T, Bastien G, Kaleta J, Miriyala VM, Špirko V, Mašínová A, Nachtigallová D, Hobza P. Lo R, et al. Among authors: hobza p. Nat Commun. 2022 Apr 19;13(1):2107. doi: 10.1038/s41467-022-29806-3. Nat Commun. 2022. PMID: 35440662 Free PMC article.

5

Unexpected Strengthening of the H-Bond Complexes in a Polar Solvent Due to a More Efficient Solvation of the Complex Compared to Isolated Monomers.

Miriyala VM, Lo R, Bouř P, Wu T, Nachtigallová D, Hobza P. Miriyala VM, et al. Among authors: hobza p. J Phys Chem A. 2022 Nov 3;126(43):7938-7943. doi: 10.1021/acs.jpca.2c05992. Epub 2022 Oct 20. J Phys Chem A. 2022. PMID: 36263696

6

Trends in the stability of covalent dative bonds with variable solvent polarity depend on the charge transfer in the Lewis electron-pair system.

Lo R, Manna D, Miriyala VM, Nachtigallová D, Hobza P. Lo R, et al. Among authors: hobza p. Phys Chem Chem Phys. 2023 Oct 4;25(38):25961-25964. doi: 10.1039/d3cp03445c. Phys Chem Chem Phys. 2023. PMID: 37727041

7

Impact of dielectric constant of solvent on the formation of transition metal-ammine complexes.

Manna D, Lo R, Miriyala VM, Nachtigallová D, Trávníček Z, Hobza P. Manna D, et al. Among authors: hobza p. J Comput Chem. 2024 Feb 5;45(4):204-209. doi: 10.1002/jcc.27230. Epub 2023 Sep 26. J Comput Chem. 2024. PMID: 37752737

8

The Stability of Hydrogen-Bonded Ion-Pair Complex Unexpectedly Increases with Increasing Solvent Polarity.

Manna D, Lo R, Vacek J, Miriyala VM, Bouř P, Wu T, Osifová Z, Nachtigallová D, Dračinský M, Hobza P. Manna D, et al. Among authors: hobza p. Angew Chem Int Ed Engl. 2024 May 13;63(20):e202403218. doi: 10.1002/anie.202403218. Epub 2024 Apr 4. Angew Chem Int Ed Engl. 2024. PMID: 38497312

9

Multipodal insulin mimetics built on adamantane or proline scaffolds.

Hajduch J, Fabre B, Klopp B, Pohl R, Buděšínský M, Šolínová V, Kašička V, Köprülüoglu C, Eyrilmez SM, Lepšík M, Hobza P, Mitrová K, Lubos M, Hernández MSG, Jiráček J. Hajduch J, et al. Among authors: hobza p. Bioorg Chem. 2021 Feb;107:104548. doi: 10.1016/j.bioorg.2020.104548. Epub 2020 Dec 10. Bioorg Chem. 2021. PMID: 33358613

10

Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical study.

Bendová L, Jurecka P, Hobza P, Vondrásek J. Bendová L, et al. Among authors: hobza p. J Phys Chem B. 2007 Aug 23;111(33):9975-9. doi: 10.1021/jp072859+. Epub 2007 Aug 2. J Phys Chem B. 2007. PMID: 17672495

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