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Items: 1 to 20 of 46

1.

Towards Unraveling the Histone Code by Fragment Blind Docking.

Bálint M, Horváth I, Mészáros N, Hetényi C.

Int J Mol Sci. 2019 Jan 19;20(2). pii: E422. doi: 10.3390/ijms20020422.

2.

Interaction of Chrysin and Its Main Conjugated Metabolites Chrysin-7-Sulfate and Chrysin-7-Glucuronide with Serum Albumin.

Mohos V, Fliszár-Nyúl E, Schilli G, Hetényi C, Lemli B, Kunsági-Máté S, Bognár B, Poór M.

Int J Mol Sci. 2018 Dec 17;19(12). pii: E4073. doi: 10.3390/ijms19124073.

3.

Interaction of the mycotoxin metabolite dihydrocitrinone with serum albumin.

Faisal Z, Vörös V, Lemli B, Derdák D, Kunsági-Máté S, Bálint M, Hetényi C, Csepregi R, Kőszegi T, Bergmann D, Sueck F, Humpf HU, Hübner F, Poór M.

Mycotoxin Res. 2019 May;35(2):129-139. doi: 10.1007/s12550-018-0336-z. Epub 2018 Nov 13.

PMID:
30426325
4.

Interaction of 2'R-ochratoxin A with Serum Albumins: Binding Site, Effects of Site Markers, Thermodynamics, Species Differences of Albumin-binding, and Influence of Albumin on Its Toxicity in MDCK Cells.

Faisal Z, Derdák D, Lemli B, Kunsági-Máté S, Bálint M, Hetényi C, Csepregi R, Kőszegi T, Sueck F, Cramer B, Humpf HU, Poór M.

Toxins (Basel). 2018 Sep 1;10(9). pii: E353. doi: 10.3390/toxins10090353.

5.

Interactions of zearalenone and its reduced metabolites α-zearalenol and β-zearalenol with serum albumins: species differences, binding sites, and thermodynamics.

Faisal Z, Lemli B, Szerencsés D, Kunsági-Máté S, Bálint M, Hetényi C, Kuzma M, Mayer M, Poór M.

Mycotoxin Res. 2018 Nov;34(4):269-278. doi: 10.1007/s12550-018-0321-6. Epub 2018 Jul 16.

PMID:
30014206
6.

Analysis of the influence of simulation parameters on biomolecule-linked water networks.

Jeszenői N, Schilli G, Bálint M, Horváth I, Hetényi C.

J Mol Graph Model. 2018 Jun;82:117-128. doi: 10.1016/j.jmgm.2018.04.011. Epub 2018 Apr 27.

PMID:
29729648
7.

Pharmacokinetic interaction of diosmetin and silibinin with other drugs: Inhibition of CYP2C9-mediated biotransformation and displacement from serum albumin.

Poór M, Boda G, Mohos V, Kuzma M, Bálint M, Hetényi C, Bencsik T.

Biomed Pharmacother. 2018 Jun;102:912-921. doi: 10.1016/j.biopha.2018.03.146. Epub 2018 Apr 5.

PMID:
29710546
8.

Systematic exploration of multiple drug binding sites.

Bálint M, Jeszenői N, Horváth I, van der Spoel D, Hetényi C.

J Cheminform. 2017 Dec 28;9(1):65. doi: 10.1186/s13321-017-0255-6.

9.

Dynamic changes in binding interaction networks of sex steroids establish their non-classical effects.

Bálint M, Jeszenői N, Horváth I, Ábrahám IM, Hetényi C.

Sci Rep. 2017 Nov 1;7(1):14847. doi: 10.1038/s41598-017-14840-9.

10.

Investigation of Non-Covalent Interactions of Aflatoxins (B1, B2, G1, G2, and M1) with Serum Albumin.

Poór M, Bálint M, Hetényi C, Gődér B, Kunsági-Máté S, Kőszegi T, Lemli B.

Toxins (Basel). 2017 Oct 25;9(11). pii: E339. doi: 10.3390/toxins9110339.

11.

Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.

Ecsédi P, Kiss B, Gógl G, Radnai L, Buday L, Koprivanacz K, Liliom K, Leveles I, Vértessy B, Jeszenői N, Hetényi C, Schlosser G, Katona G, Nyitray L.

Structure. 2017 Aug 1;25(8):1195-1207.e5. doi: 10.1016/j.str.2017.06.001. Epub 2017 Jun 29.

12.

Interaction of mycotoxin zearalenone with human serum albumin.

Poór M, Kunsági-Máté S, Bálint M, Hetényi C, Gerner Z, Lemli B.

J Photochem Photobiol B. 2017 May;170:16-24. doi: 10.1016/j.jphotobiol.2017.03.016. Epub 2017 Mar 27.

PMID:
28365492
13.

Comparative investigation of the in vitro inhibitory potencies of 13-epimeric estrones and D-secoestrones towards 17β-hydroxysteroid dehydrogenase type 1.

Herman BE, Szabó J, Bacsa I, Wölfling J, Schneider G, Bálint M, Hetényi C, Mernyák E, Szécsi M.

J Enzyme Inhib Med Chem. 2016;31(sup3):61-69. Epub 2016 Jul 18.

PMID:
27424610
14.

Exploration of Interfacial Hydration Networks of Target-Ligand Complexes.

Jeszenői N, Bálint M, Horváth I, van der Spoel D, Hetényi C.

J Chem Inf Model. 2016 Jan 25;56(1):148-58. doi: 10.1021/acs.jcim.5b00638. Epub 2016 Jan 8.

PMID:
26704050
15.

Interaction of Citrinin with Human Serum Albumin.

Poór M, Lemli B, Bálint M, Hetényi C, Sali N, Kőszegi T, Kunsági-Máté S.

Toxins (Basel). 2015 Dec 1;7(12):5155-66. doi: 10.3390/toxins7124871.

16.

The Structure of an NDR/LATS Kinase-Mob Complex Reveals a Novel Kinase-Coactivator System and Substrate Docking Mechanism.

Gógl G, Schneider KD, Yeh BJ, Alam N, Nguyen Ba AN, Moses AM, Hetényi C, Reményi A, Weiss EL.

PLoS Biol. 2015 May 12;13(5):e1002146. doi: 10.1371/journal.pbio.1002146. eCollection 2015 May.

17.

Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex.

Alexa A, Gógl G, Glatz G, Garai Á, Zeke A, Varga J, Dudás E, Jeszenői N, Bodor A, Hetényi C, Reményi A.

Proc Natl Acad Sci U S A. 2015 Mar 3;112(9):2711-6. doi: 10.1073/pnas.1417571112. Epub 2015 Feb 17.

18.

Mobility-based prediction of hydration structures of protein surfaces.

Jeszenői N, Horváth I, Bálint M, van der Spoel D, Hetényi C.

Bioinformatics. 2015 Jun 15;31(12):1959-65. doi: 10.1093/bioinformatics/btv093. Epub 2015 Feb 13.

PMID:
25682067
19.

DYNLL2 dynein light chain binds to an extended linear motif of myosin 5a tail that has structural plasticity.

Bodor A, Radnai L, Hetényi C, Rapali P, Láng A, Kövér KE, Perczel A, Wahlgren WY, Katona G, Nyitray L.

Biochemistry. 2014 Nov 18;53(45):7107-22. doi: 10.1021/bi500574z. Epub 2014 Nov 5.

PMID:
25312846
20.

Cooperative Binding of Cyclodextrin Dimers to Isoflavone Analogues Elucidated by Free Energy Calculations.

Zhang H, Tan T, Hetényi C, Lv Y, van der Spoel D.

J Phys Chem C Nanomater Interfaces. 2014 Apr 3;118(13):7163-7173. Epub 2014 Mar 14.

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