Hobza P - Search Results

1

Convergence of the Interaction Energies in Noncovalent Complexes in the Coupled-Cluster Methods Up to Full Configuration Interaction.

Šimová L, Řezáč J, Hobza P. Šimová L, et al. Among authors: hobza p. J Chem Theory Comput. 2013 Aug 13;9(8):3420-8. doi: 10.1021/ct4002762. Epub 2013 Jul 18. J Chem Theory Comput. 2013. PMID: 26584097

2

On the nature of DNA-duplex stability.

Rezác J, Hobza P. Rezác J, et al. Among authors: hobza p. Chemistry. 2007;13(10):2983-9. doi: 10.1002/chem.200601120. Chemistry. 2007. PMID: 17183597

3

Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems.

Kubar T, Jurecka P, Cerný J, Rezac J, Otyepka M, Valdés H, Hobza P. Kubar T, et al. Among authors: hobza p. J Phys Chem A. 2007 Jul 5;111(26):5642-7. doi: 10.1021/jp068858j. Epub 2007 Apr 6. J Phys Chem A. 2007. PMID: 17411021

4

Potential-energy and free-energy surfaces of glycyl-phenylalanyl-alanine (GFA) tripeptide: experiment and theory.

Valdes H, Spiwok V, Rezac J, Reha D, Abo-Riziq AG, de Vries MS, Hobza P. Valdes H, et al. Among authors: hobza p. Chemistry. 2008;14(16):4886-98. doi: 10.1002/chem.200800085. Chemistry. 2008. PMID: 18421727

5

Adsorption of aromatic hydrocarbons and ozone at environmental aqueous surfaces.

Vácha R, Cwiklik L, Rezác J, Hobza P, Jungwirth P, Valsaraj K, Bahr S, Kempter V. Vácha R, et al. Among authors: hobza p. J Phys Chem A. 2008 Jun 5;112(22):4942-50. doi: 10.1021/jp711813p. Epub 2008 May 8. J Phys Chem A. 2008. PMID: 18461919

6

Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field.

Valdes H, Pluhácková K, Pitonák M, Rezác J, Hobza P. Valdes H, et al. Among authors: hobza p. Phys Chem Chem Phys. 2008 May 21;10(19):2747-57. doi: 10.1039/b719294k. Epub 2008 Mar 13. Phys Chem Chem Phys. 2008. PMID: 18464990

7

Interpretation of protein/ligand crystal structure using QM/MM calculations: case of HIV-1 protease/metallacarborane complex.

Fanfrlík J, Brynda J, Rezác J, Hobza P, Lepsík M. Fanfrlík J, et al. Among authors: hobza p. J Phys Chem B. 2008 Nov 27;112(47):15094-102. doi: 10.1021/jp803528w. J Phys Chem B. 2008. PMID: 18975888

8

Design of HIV protease inhibitors based on inorganic polyhedral metallacarboranes.

Rezácová P, Pokorná J, Brynda J, Kozísek M, Cígler P, Lepsík M, Fanfrlík J, Rezác J, Grantz Sasková K, Sieglová I, Plesek J, Sícha V, Grüner B, Oberwinkler H, Sedlácek' J, Kräusslich HG, Hobza P, Král V, Konvalinka J. Rezácová P, et al. Among authors: hobza p. J Med Chem. 2009 Nov 26;52(22):7132-41. doi: 10.1021/jm9011388. J Med Chem. 2009. PMID: 19874035

9

Stretched DNA investigated using molecular-dynamics and quantum-mechanical calculations.

Rezác J, Hobza P, Harris SA. Rezác J, et al. Among authors: hobza p. Biophys J. 2010 Jan 6;98(1):101-10. doi: 10.1016/j.bpj.2009.08.062. Biophys J. 2010. PMID: 20074515 Free PMC article.

10

Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactions.

Pitonák M, Rezác J, Hobza P. Pitonák M, et al. Among authors: hobza p. Phys Chem Chem Phys. 2010 Sep 7;12(33):9611-4. doi: 10.1039/c0cp00158a. Epub 2010 Jul 12. Phys Chem Chem Phys. 2010. PMID: 20623085

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