Udvarhelyi A - Search Results

1

Kiss A, Udvarhelyi A, Zátroch I, Kopitkó C. Kiss A, et al. Among authors: udvarhelyi a. Orv Hetil. 2025 Feb 9;166(6):234-240. doi: 10.1556/650.2025.33216. Print 2025 Feb 9. Orv Hetil. 2025. PMID: 39923221 Hungarian.

2

ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.

Udvarhelyi A, Rodde S, Wilcken R. Udvarhelyi A, et al. J Comput Aided Mol Des. 2021 Apr;35(4):399-415. doi: 10.1007/s10822-020-00337-7. Epub 2020 Aug 17. J Comput Aided Mol Des. 2021. PMID: 32803515

3

Benchmarking Different QM Levels for Usage with COSMO-RS.

Reinisch J, Diedenhofen M, Wilcken R, Udvarhelyi A, Glöß A. Reinisch J, et al. Among authors: udvarhelyi a. J Chem Inf Model. 2019 Nov 25;59(11):4806-4813. doi: 10.1021/acs.jcim.9b00659. Epub 2019 Nov 6. J Chem Inf Model. 2019. PMID: 31692342

4

High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge.

Pracht P, Wilcken R, Udvarhelyi A, Rodde S, Grimme S. Pracht P, et al. Among authors: udvarhelyi a. J Comput Aided Mol Des. 2018 Oct;32(10):1139-1149. doi: 10.1007/s10822-018-0145-7. Epub 2018 Aug 23. J Comput Aided Mol Des. 2018. PMID: 30141103

5

Onset of the Electronic Absorption Spectra of Isolated and π-Stacked Oligomers of 5,6-Dihydroxyindole: An Ab Initio Study of the Building Blocks of Eumelanin.

Tuna D, Udvarhelyi A, Sobolewski AL, Domcke W, Domratcheva T. Tuna D, et al. Among authors: udvarhelyi a. J Phys Chem B. 2016 Apr 14;120(14):3493-502. doi: 10.1021/acs.jpcb.6b01793. Epub 2016 Apr 5. J Phys Chem B. 2016. PMID: 27005558

6

Role of the Molecular Environment in Flavoprotein Color and Redox Tuning: QM Cluster versus QM/MM Modeling.

Udvarhelyi A, Olivucci M, Domratcheva T. Udvarhelyi A, et al. J Chem Theory Comput. 2015 Aug 11;11(8):3878-94. doi: 10.1021/acs.jctc.5b00197. J Chem Theory Comput. 2015. PMID: 26574469

7

Structural details of light activation of the LOV2-based photoswitch PA-Rac1.

Winkler A, Barends TR, Udvarhelyi A, Lenherr-Frey D, Lomb L, Menzel A, Schlichting I. Winkler A, et al. Among authors: udvarhelyi a. ACS Chem Biol. 2015 Feb 20;10(2):502-9. doi: 10.1021/cb500744m. Epub 2014 Nov 17. ACS Chem Biol. 2015. PMID: 25368973

8

Computational spectroscopy, dynamics, and photochemistry of photosensory flavoproteins.

Domratcheva T, Udvarhelyi A, Shahi AR. Domratcheva T, et al. Among authors: udvarhelyi a. Methods Mol Biol. 2014;1146:191-228. doi: 10.1007/978-1-4939-0452-5_10. Methods Mol Biol. 2014. PMID: 24764094

9

Characterization of elements involved in allosteric light regulation of phosphodiesterase activity by comparison of different functional BlrP1 states.

Winkler A, Udvarhelyi A, Hartmann E, Reinstein J, Menzel A, Shoeman RL, Schlichting I. Winkler A, et al. Among authors: udvarhelyi a. J Mol Biol. 2014 Feb 20;426(4):853-68. doi: 10.1016/j.jmb.2013.11.018. Epub 2013 Nov 27. J Mol Biol. 2014. PMID: 24291457 Free PMC article.

10

Glutamine rotamers in BLUF photoreceptors: a mechanistic reappraisal.

Udvarhelyi A, Domratcheva T. Udvarhelyi A, et al. J Phys Chem B. 2013 Mar 14;117(10):2888-97. doi: 10.1021/jp400437x. Epub 2013 Mar 4. J Phys Chem B. 2013. PMID: 23421521

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

20 results

Search Page

Filters