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1

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

Poór, Miklós, Boda, Gabriella, Mohos, Violetta, Kuzma, Mónika, Bálint, Mónika, Hetényi, Csaba, Bencsik, Tímea

Journal:

Biomedicine & Pharmacotherapy

Year:

2018

Language:

english

File:

PDF, 1.94 MB

english, 2018

2

Interaction of the mycotoxin metabolite dihydrocitrinone with serum albumin

Faisal, Zelma, Vörös, Virág, Lemli, Beáta, Derdák, Diána, Kunsági-Máté, Sándor, Bálint, Mónika, Hetényi, Csaba, Csepregi, Rita, Kőszegi, Tamás, Bergmann, Dominik, Sueck, Franziska, Humpf, Hans-Ulrich,

Journal:

Mycotoxin Research

Year:

2018

Language:

english

File:

PDF, 1.07 MB

english, 2018

3

A new easy-to-prepare homogeneous continuous electrochromatographic bed for enantiomer recognition

Ákos Végvári, András Földesi, Csaba Hetényi, Olga Kocnegarova, Martin G. Schmid, Vilma Kudirkaite, Stellan Hjertén

Journal:

ELECTROPHORESIS

Year:

2000

Language:

english

File:

PDF, 158 KB

english, 2000

4

Stabilisation of Peptide Foldamers in an Aqueous Medium by Incorporation of Azapeptide Building Blocks

Anasztázia Hetényi, Gábor K. Tóth, Csaba Somlai, Elemér Vass, Tamás A. Martinek, Ferenc Fülöp

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 525 KB

english, 2009

5

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.

Csaba Hetenyi, Uko Maran, Mati Karelson

Journal:

Year:

2003

File:

PDF, 51 KB

2003

6

Structure-Based Calculation of Binding Affinities of α2A-Adrenoceptor Agonists

Balázs Balogh, Csaba Hetényi, Miklós György Keserű, Péter Mátyus

Journal:

Year:

2007

Language:

english

File:

PDF, 254 KB

english, 2007

7

Drug efficiency indices for improvement of molecular docking scoring functions

Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

8

Mapping of Possible Binding Sequences of Two Beta-Sheet Breaker Peptides on Beta Amyloid Peptide of Alzheimer's Disease

Csaba Hetényi, Tamás Körtvélyesi, Botond Penke

Journal:

Bioorganic & Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 275 KB

english, 2002

9

Toward prediction of functional protein pockets using blind docking and pocket search algorithms

Csaba Hetényi, David van der Spoel

Journal:

Protein Science

Year:

2011

Language:

english

File:

PDF, 635 KB

english, 2011

10

The autoimmune regulator PHD finger binds to non-methylated histone H3K4 to activate gene expression

Org, Tõnis, Chignola, Francesca, Hetényi, Csaba, Gaetani, Massimiliano, Rebane, Ana, Liiv, Ingrid, Maran, Uko, Mollica, Luca, Bottomley, Matthew J, Musco, Giovanna

Journal:

Year:

2008

Language:

english

File:

PDF, 302 KB

english, 2008

11

Efficient docking of peptides to proteins without prior knowledge of the binding site

Csaba Hetényi, David van der Spoel

Journal:

Protein Science

Year:

2002

Language:

english

File:

PDF, 279 KB

english, 2002

12

Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching

Peragovics, Ágnes, Simon, Zoltán, Brandhuber, Ildikó, Jelinek, Balázs, Hári, Péter, Hetényi, Csaba, Czobor, Pál, Málnási-Csizmadia, András

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 561 KB

english, 2012

13

Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space

Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran

Journal:

Molecular Informatics

Year:

2012

Language:

english

File:

PDF, 1.77 MB

english, 2012

14

Pentapeptide Amides Interfere with the Aggregation of β-Amyloid Peptide of Alzheimer's Disease

Csaba Hetényi, Zoltán Szabó, Éva Klement, Zsolt Datki, Tamás Körtvélyesi, Márta Zarándi, Botond Penke

Journal:

Biochemical and Biophysical Research Communications

Year:

2002

Language:

english

File:

PDF, 248 KB

english, 2002

15

Pseudouridylation of 23S rRNA helix 69 promotes peptide release by release factor RF2 but not by release factor RF1

Kalle Kipper, Sulev Sild, Csaba Hetényi, Jaanus Remme, Aivar Liiv

Journal:

Year:

2011

Language:

english

File:

PDF, 764 KB

english, 2011

16

Blind docking of drug-sized compounds to proteins with up to a thousand residues

Csaba Hetényi, David van der Spoel

Journal:

Year:

2006

Language:

english

File:

PDF, 131 KB

english, 2006

17

Extended Intermolecular Interactions in a Serine Protease–Canonical Inhibitor Complex Account for Strong and Highly Specific Inhibition

Krisztián Fodor, Veronika Harmat, Csaba Hetényi, József Kardos, József Antal, András Perczel, András Patthy, Gergely Katona, László Gráf

Journal:

Journal of Molecular Biology

Year:

2005

Language:

english

File:

PDF, 831 KB

english, 2005

18

Ribosomal Intersubunit Bridge B2a Is Involved in Factor-Dependent Translation Initiation and Translational Processivity

Kalle Kipper, Csaba Hetényi, Sulev Sild, Jaanus Remme, Aivar Liiv

Journal:

Journal of Molecular Biology

Year:

2009

Language:

english

File:

PDF, 1.65 MB

english, 2009

19

In vitro model of neurotoxicity of Aβ 1–42 and neuroprotection by a pentapeptide: irreversible events during the first hour

Zsolt Datki, Rita Papp, Dénes Zádori, Katalin Soós, Lívia Fülöp, Anna Juhász, Gábor Laskay, Csaba Hetényi, Erzsébet Mihalik, Márta Zarándi, Botond Penke

Journal:

Neurobiology of Disease

Year:

2004

Language:

english

File:

PDF, 568 KB

english, 2004

20

Conformational Dynamics of Titin PEVK Explored with FRET Spectroscopy

Huber, Tamás, Grama, László, Hetényi, Csaba, Schay, Gusztáv, Fülöp, Lívia, Penke, Botond, Kellermayer, Miklós S.Z.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 599 KB

english, 2012

21

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

García-Sosa, Alfonso T., Oja, Mare, Hetényi, Csaba, Maran, Uko

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.68 MB

english, 2012

22

Drug Effect Prediction by Polypharmacology-Based Interaction Profiling

Simon, Zoltán, Peragovics, Ágnes, Vigh-Smeller, Margit, Csukly, Gábor, Tombor, László, Yang, Zhenhui, Zahoránszky-Kőhalmi, Gergely, Végner, László, Jelinek, Balázs, Hári, Péter, Hetényi, Csaba, Bitter

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 956 KB

english, 2012

23

Quantification of Solvent Contribution to the Stability of Noncovalent Complexes

Zhang, Haiyang, Tan, Tianwei, Hetényi, Csaba, van der Spoel, David

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 2.50 MB

english, 2013

24

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

Zhang, Haiyang, Tan, Tianwei, Hetényi, Csaba, Lv, Yongqin, van der Spoel, David

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 685 KB

english, 2014

25

Structure of Titin PEVK Explored with FRET Spectroscopy

Huber, Tamas, Fulop, Livia, Grama, Laszlo, Hetenyi, Csaba, Penke, Botond, Kellermayer, Miklos S.Z.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 38 KB

english, 2012

26

Agenda

Huber, Tamas, Fulop, Livia, Grama, Laszlo, Hetenyi, Csaba, Penke, Botond, Kellermayer, Miklos S.Z.

Journal:

Science & Sports

Year:

1994

File:

PDF, 121 KB

1994

27

Alternatively Spliced Exon B of Myosin Va Is Essential for Binding the Tail-Associated Light Chain Shared by Dynein †

Hódi, Zsuzsa, Németh, Attila L., Radnai, László, Hetényi, Csaba, Schlett, Katalin, Bodor, Andrea, Perczel, András, Nyitray, László

Journal:

Year:

2006

Language:

english

File:

PDF, 774 KB

english, 2006

28

Combination of a Modified Scoring Function with Two-Dimensional Descriptors for Calculation of Binding Affinities of Bulky, Flexible Ligands to Proteins

Hetényi, Csaba, Paragi, Gábor, Maran, Uko, Timár, Zoltán, Karelson, Mati, Penke, Botond

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

29

DYNLL2 Dynein Light Chain Binds to an Extended Linear Motif of Myosin 5a Tail That Has Structural Plasticity

Bodor, Andrea, Radnai, László, Hetényi, Csaba, Rapali, Péter, Láng, András, Kövér, Katalin E., Perczel, András, Wahlgren, Weixiao Y., Katona, Gergely, Nyitray, László

Journal:

Year:

2014

Language:

english

File:

PDF, 2.28 MB

english, 2014

30

Crustal structure of the Pannonian Basin: The AlCaPa and Tisza Terrains and the Mid-Hungarian Zone

Hetényi, György, Ren, Yong, Dando, Ben, Stuart, Graham W., Hegedűs, Endre, Kovács, Attila Csaba, Houseman, Gregory A.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.01 MB

english, 2015

31

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

Alexa, Anita, Gógl, Gergő, Glatz, Gábor, Garai, Ágnes, Zeke, András, Varga, János, Dudás, Erika, Jeszenői, Norbert, Bodor, Andrea, Hetényi, Csaba, Reményi, Attila

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 1.00 MB

english, 2015

32

Mobility-based prediction of hydration structures of protein surfaces

Jeszenői, Norbert, Horváth, István, Bálint, Mónika, van der Spoel, David, Hetényi, Csaba

Journal:

Year:

2015

Language:

english

File:

PDF, 630 KB

english, 2015

33

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

Gógl, Gergő, Schneider, Kyle D., Yeh, Brian J., Alam, Nashida, Nguyen Ba, Alex N., Moses, Alan M., Hetényi, Csaba, Reményi, Attila, Weiss, Eric L., Tyers, Mike

Journal:

Year:

2015

Language:

english

File:

PDF, 7.17 MB

english, 2015

34

Exploration of Interfacial Hydration Networks of Target-Ligand Complexes

Jeszenői, Norbert, Bálint, Mónika, Horváth, István, van der Spoel, David, Hetényi, Csaba

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 2.99 MB

english, 2015

35

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

Herman, Bianka Edina, Szabó, Johanna, Bacsa, Ildikó, Wölfling, János, Schneider, Gyula, Bálint, Mónika, Hetényi, Csaba, Mernyák, Erzsébet, Szécsi, Mihály

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 809 KB

english, 2016

36

Interaction of mycotoxin zearalenone with human serum albumin

Poór, Miklós, Kunsági-Máté, Sándor, Bálint, Mónika, Hetényi, Csaba, Gerner, Zsófia, Lemli, Beáta

Journal:

Journal of Photochemistry and Photobiology B: Biology

Year:

2017

Language:

english

File:

PDF, 1.02 MB

english, 2017

37

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

Ecsédi, Péter, Kiss, Bence, Gógl, Gergő, Radnai, László, Buday, László, Koprivanacz, Kitti, Liliom, Károly, Leveles, Ibolya, Vértessy, Beáta, Jeszenői, Norbert, Hetényi, Csaba, Schlosser, Gitta, Katon

Journal:

Year:

2017

Language:

english

File:

PDF, 3.91 MB

english, 2017

38

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

Bálint, Mónika, Jeszenői, Norbert, Horváth, István, Ábrahám, István M., Hetényi, Csaba

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 4.01 MB

english, 2017

39

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

Jeszenői, Norbert, Schilli, Gabriella, Bálint, Mónika, Horváth, István, Hetényi, Csaba

Journal:

Journal of Molecular Graphics and Modelling

Year:

2018

Language:

english

File:

PDF, 1.97 MB

english, 2018

40

Systematic exploration of multiple drug binding sites

Bálint, Mónika, Jeszenői, Norbert, Horváth, István, van der Spoel, David, Hetényi, Csaba

Journal:

Journal of Cheminformatics

Year:

2017

Language:

english

File:

PDF, 1.77 MB

english, 2017

41

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

Poór, Miklós, Bálint, Mónika, Hetényi, Csaba, Gődér, Beatrix, Kunsági-Máté, Sándor, Kőszegi, Tamás, Lemli, Beáta

Journal:

Year:

2017

Language:

english

File:

PDF, 2.83 MB

english, 2017

42

Interaction of Citrinin with Human Serum Albumin

Poór, Miklós, Lemli, Beáta, Bálint, Mónika, Hetényi, Csaba, Sali, Nikolett, Kőszegi, Tamás, Kunsági-Máté, Sándor

Journal:

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

43

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

Faisal, Zelma, Lemli, Beáta, Szerencsés, Dénes, Kunsági-Máté, Sándor, Bálint, Mónika, Hetényi, Csaba, Kuzma, Mónika, Mayer, Mátyás, Poór, Miklós

Journal:

Mycotoxin Research

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

44

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, Zelma, Derdák, Diána, Lemli, Beáta, Kunsági-Máté, Sándor, Bálint, Mónika, Hetényi, Csaba, Csepregi, Rita, Kőszegi, Tamás, Sueck, Franziska, Cramer, Benedikt, Humpf, Hans-Ulrich, Poór, Miklós

Journal:

Year:

2018

Language:

english

File:

PDF, 4.91 MB

english, 2018

45

Towards Unraveling the Histone Code by Fragment Blind Docking

Bálint, Mónika, Horváth, István, Mészáros, Nikolett, Hetényi, Csaba

Journal:

International Journal of Molecular Sciences

Year:

2019

File:

PDF, 2.99 MB

2019

46

Towards Unraveling the Histone Code by Fragment Blind Docking

Bálint, Mónika, Horváth, István, Mészáros, Nikolett, Hetényi, Csaba

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019

47

Inhibitory Effects of Quercetin and Its Human and Microbial Metabolites on Xanthine Oxidase Enzyme

Mohos, Violetta, Pánovics, Attila, Fliszár-Nyúl, Eszter, Schilli, Gabriella, Hetényi, Csaba, Mladěnka, Přemysl, Needs, Paul W., Kroon, Paul A., Pethő, Gábor, Poór, Miklós

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 3.29 MB

english, 2019

48

A Fragmenting Protocol with Explicit Hydration for Calculation of Binding Enthalpies of Target-Ligand Complexes at a Quantum Mechanical Level

Horváth, István, Jeszenői, Norbert, Bálint, Mónika, Paragi, Gábor, Hetényi, Csaba

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

49

Novel Drug-Like Somatostatin Receptor 4 Agonists are Potential Analgesics for Neuropathic Pain

Kántás, Boglárka, Börzsei, Rita, Szőke, Éva, Bánhegyi, Péter, Horváth, Ádám, Hunyady, Ágnes, Borbély, Éva, Hetényi, Csaba, Pintér, Erika, Helyes, Zsuzsanna

Journal:

International Journal of Molecular Sciences

Year:

2019

File:

PDF, 1.69 MB

2019