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Mándi, A.,
Rimóczi, A.,
Vasas, A.,
Hohmann, J.,
Swamy, M. M. M.,
Monde, K.,
Barta, R. A.,
Kicsák, M.,
Komáromi, I.,
Fehér, K.,
Kurtán, T.:
Testing the Simplified Molecular Dynamics Approach to Improve the Reproduction of ECD Spectra and Monitor Aggregation.
Int. J. Mol. Sci. 25 (12), 1-18, (article identifier: 6453), 2024.
Fekete, A.,
Komáromi, I.,
Mucs, D.:
On the early events of the calcium induced activation of coagulation factor XIII-A2 and tissue transglutaminase: an in silico study.
J. Biomol. Struct. Dyn. 38 (1), 152-167, 2020.
Balogh, G.,
Komáromi, I.,
Bereczky, Z.:
The mechanism of high affinity pentasaccharide binding to antithrombin, insights from Gaussian accelerated molecular dynamics simulations.
J. Biomol. Struct. Dyn. 38 (16), 4718-4732, 2020.
Balogh, G.,
Muszbek, L.,
Komáromi, I.:
First Step of the Transglutaminase Reaction Catalyzed by Activated Factor XIII Subunit A, Hybrid Quantum Chemistry/Molecular Mechanics Calculations.
J. Phys. Chem. B. 123 (18), 3887-3897, 2019.
Fizil, Á.,
Sonderegger, C.,
Czajlik, A.,
Fekete, A.,
Komáromi, I.,
Hajdu, D.,
Marx, F.,
Batta, G.:
Calcium binding of the antifungal protein PAF: Structure, dynamics and function aspects by NMR and MD simulations.
PLoS One. 13 (10), 1-19, (article identifier: 0204825), 2018.
Q1
Agricultural and Biological Sciences (miscellaneous)
Q1
Biochemistry, Genetics and Molecular Biology (miscellaneous)
Q1
Medicine (miscellaneous)
7.
Nánási, P. P. i.,
Komáromi, I.,
Gaburjakova, M.,
Almássy, J.:
Omecamtiv Mecarbil: a Myosin Motor Activator Agent with Promising Clinical Performance and New in vitro Results.
Curr. Med. Chem. 25 (15), 1720-1728, 2018.
Nánási, P. P. i.,
Komáromi, I.,
Almássy, J.:
Perspectives of a myosin motor activator agent with increased selectivity.
Can. J. Physiol. Pharmacol. 96 (7), 676-680, 2018.
Fekete, A.,
Komáromi, I.:
Modeling the archetype cysteine protease reaction using dispersion corrected density functional methods in ONIOM-type hybrid QM/MM calculations: the proteolytic reaction of papain.
Phys. Chem. Chem. Phys. 18 (48), 32847-32861, 2016.
Szalóki, N.,
Krieger, J. W.,
Komáromi, I.,
Tóth, K.,
Vámosi, G.:
Evidence for Homodimerization of the c-Fos Transcription Factor in Live Cells Revealed by Fluorescence Microscopy and Computer Modeling.
Mol. Cell. Biol. 35 (21), 3785-3798, 2015.
Bokor, É.,
Fekete, A.,
Varga, G.,
Szőcs, B.,
Czifrák, K.,
Komáromi, I.,
Somsák, L.:
C-(β-d-Glucopyranosyl)formamidrazones, formic acid hydrazides and their transformations into 3-(β-d-glucopyranosyl)-5-substituted-1,2,4-triazoles: a synthetic and computational study.
Tetrahedron. 69 (48), 10391-10404, 2013.
Timári, I.,
Komáromi, I.,
Fehér, K.,
Kövér, K. E.:
Heparin-analóg pentaszacharidok szerkezete és antitrombin III fehérjével való kölcsönhatása: NMR vizsgálatok és elméleti számítások.
In: Pro Scientia Aranyérmesek XI. Konferenciája : Szeged, 2012. november 8-10. : előadások. Szerk.: Szőllősi László, Pro Scientia Aranyérmesek Társ., Budapest, 119-123, 2013. ISBN: 9789638828927
Tóth, L.,
Muszbek, L.,
Komáromi, I.:
Mechanism of the irreversible inhibition of human cyclooxygenase-1 by aspirin as predicted by QM/MM calculations.
J. Mol. Graph. 40, 99-109, 2013.