• 3015 Citations
  • 26 h-Index
1968 …2019

Research output per year

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Research Output

2019
Open Access
2018

Conservative evolution and industrial metabolism in Green Chemistry

Náray-Szabó, G. & Mika, L. T., Jan 1 2018, In : Green Chemistry. 20, 10, p. 2171-2191 21 p.

Research output: Contribution to journalReview article

10 Citations (Scopus)
2017

Protein modeling

Náray-Szabó, G., Perczel, A., Láng, A. & Menyhárd, D. K., Jan 1 2017, Handbook of Computational Chemistry. Springer International Publishing, p. 1589-1626 38 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

2016

Chemistry towards biology: Proceedings of the Katowice conference

Náray-Szabó, G., Mar 1 2016, In : Current Protein and Peptide Science. 17, 2, p. 94 1 p.

Research output: Contribution to journalEditorial

Editorial: Chemistry Towards Biology: Proceedings of the Katowice Conference

Náray-Szabó, G., Jan 1 2016, In : Current protein & peptide science. 17, 2, 1 p.

Research output: Contribution to journalEditorial

2015

Meet the editorial board

Náray-Szabó, G., Jan 1 2015, In : Current Protein and Peptide Science. 16, 2, 1 p.

Research output: Contribution to journalEditorial

2014

Conservative evolution, sustainability, and culture

Náray-Szabó, G., Mar 1 2014, In : CLCWeb - Comparative Literature and Culture. 16, 1, 10.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Dynamics of small, folded proteins

Rovó, P., Menyhárd, D. K., Náray-Szabó, G. & Perczel, A., Jul 1 2014, Protein Modelling. Springer International Publishing, Vol. 9783319099767. p. 223-248 26 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Introduction

Náray-Szabó, G., Jul 1 2014, Protein Modelling. Springer International Publishing, Vol. 9783319099767. p. 1-4 4 p.

Research output: Chapter in Book/Report/Conference proceedingForeword/postscript

Preface

Náray-Szabó, G., Jul 1 2014, Protein Modelling. Springer International Publishing, Vol. 9783319099767. p. v

Research output: Chapter in Book/Report/Conference proceedingForeword/postscript

Open Access

Protein modelling

Náray-Szabó, G., Jul 1 2014, Springer International Publishing. 329 p.

Research output: Book/ReportBook

3 Citations (Scopus)

Strictly localised molecular orbitals in QM/MM methods

Ferenczy, G. G. & Náray-Szabó, G., Jul 1 2014, Protein Modelling. Springer International Publishing, Vol. 9783319099767. p. 71-89 19 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)
2013

A self-compartmentalizing hexamer serine protease from Pyrococcus Horikoshii: Substrate selection achieved through multimerization

Menyhárd, D. K., Kiss-Szemán, A., Tichy-Rács, É., Hornung, B., Rádi, K., Szeltner, Z., Domokos, K., Szamosi, I., Náray-Szabó, G., Polgár, L. & Harmat, V., Jun 14 2013, In : Journal of Biological Chemistry. 288, 24, p. 17884-17894 11 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Quantum mechanical modeling: A tool for the understanding of enzyme reactions

Náray-Szabó, G., Oláh, J. & Krámos, B., Jan 1 2013, In : Biomolecules. 3, 3, p. 662-702 41 p.

Research output: Contribution to journalReview article

13 Citations (Scopus)
2011

Structure and catalysis of acylaminoacyl peptidase: Closed and open subunits of a dimer oligopeptidase

Harmat, V., Domokos, K., Menyhárd, D. K., Palló, A., Szeltner, Z., Szamosi, I., Beke-Somfai, T., Náray-Szabó, G. & Polgár, L., Jan 21 2011, In : Journal of Biological Chemistry. 286, 3, p. 1987-1998 12 p.

Research output: Contribution to journalArticle

30 Citations (Scopus)
2009

Calmodulin in complex with proteins and small molecule ligands: Operating with the element of surprise; implications for structure-based drug design

Menyhárd, D. K., Keserucombining double acute accent, G. M. & Náray-Szabó, G., Dec 1 2009, In : Current Computer-Aided Drug Design. 5, 4, p. 264-279 16 p.

Research output: Contribution to journalReview article

9 Citations (Scopus)
9 Citations (Scopus)

Fenntartani a sokszínu′ világot. Jövo″ kép egy kis nemzet számára

Translated title of the contribution: To sustain a colourful world. Vision for a small nationNáray-Szabó, G., Dec 1 2009, In : Tarsadalomkutatas. 27, 4, p. 441-454 14 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Four spatial points that define enzyme families

Iván, G., Szabadka, Z., Ördög, R., Grolmusz, V. & Náray-Szabó, G., Jun 12 2009, In : Biochemical and biophysical research communications. 383, 4, p. 417-420 4 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Theoretical aspects of molecular recognition

Harmata, V. & Náray-Szabó, G., Jun 1 2009, In : Croatica Chemica Acta. 82, 1, p. 277-282 6 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2008

Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules

Kánai, K., Arányi, P., Böcskei, Z., Ferenczy, G., Harmat, V., Simon, K., Bátori, S., Náray-Szabó, G. & Hermecz, I., Dec 11 2008, In : Journal of Medicinal Chemistry. 51, 23, p. 7514-7522 9 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)

Revisiting the mechanism of the autoactivation of the complement protease C1r in the C1 complex: Structure of the active catalytic region of C1r

Kardos, J., Harmat, V., Palló, A., Barabás, O., Szilágyi, K., Gráf, L., Náray-Szabó, G., Goto, Y., Závodszky, P. & Gál, P., Mar 1 2008, In : Molecular Immunology. 45, 6, p. 1752-1760 9 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)

Structural and kinetic contributions of the oxyanion binding site to the catalytic activity of acylaminoacyl peptidase

Kiss, A. L., Palló, A., Náray-Szabó, G., Harmat, V. & Polgár, L., May 1 2008, In : Journal of Structural Biology. 162, 2, p. 312-323 12 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
2007

A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point charges

Berente, I., Czinki, E. & Náray-Szabó, G., Sep 1 2007, In : Journal of Computational Chemistry. 28, 12, p. 1936-1942 7 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)
12 Citations (Scopus)
19 Citations (Scopus)
2006
25 Citations (Scopus)

Hungarian chemistry in the 21st century

Naray-Szabo, G., May 2006, In : Nachrichten aus der Chemie. 54, 5, p. 530-531 2 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)
2005

A true autoactivating enzyme: Structural insight into mannose-binding lectin-associated serine protease-2 activations

Gál, P., Harmat, V., Kocsis, A., Bián, T., Barna, L., Ambrus, G., Végh, B., Balczer, J., Sim, R. B., Náray-Szabó, G. & Závodszky, P., Sep 30 2005, In : Journal of Biological Chemistry. 280, 39, p. 33435-33444 10 p.

Research output: Contribution to journalArticle

83 Citations (Scopus)

Energy decomposition scheme for combined Ab initio quantum mechanical / molecular mechanical methods

Berente, I. & Náray-Szabó, G., Aug 15 2005, In : International Journal of Quantum Chemistry. 104, 3, p. 328-334 7 p.

Research output: Contribution to journalArticle

Predicting anti-HIV-1 activities of HEPT-analog compounds by using support vector classification

Lu, W., Dong, N. & Náray-Szabó, G., Nov 1 2005, In : QSAR and Combinatorial Science. 24, 9, p. 1021-1025 5 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

The structure of the complex of calmodulin with KAR-2: A novel mode of binding explains the unique pharmacology of the drug

Horváth, I., Harmat, V., Perczel, A., Pálfi, V., Nyitray, L., Nagy, A., Hlavanda, E., Náray-Szabó, G. & Ovádi, J., Mar 4 2005, In : Journal of Biological Chemistry. 280, 9, p. 8266-8274 9 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)
2004

Compatibility of the movement protein and the coat protein of cucumoviruses is required for cell-to-cell movement

Salánki, K., Gellért, Á., Huppert, E., Náray-Szabó, G. & Balázs, E., Apr 1 2004, In : Journal of General Virology. 85, 4, p. 1039-1048 10 p.

Research output: Contribution to journalReview article

18 Citations (Scopus)
43 Citations (Scopus)
65 Citations (Scopus)
2003

Computer modelling of enzyme reactions

Náray-Szabó, G. & Berente, I., Dec 29 2003, In : Journal of Molecular Structure: THEOCHEM. 666-667, p. 637-644 8 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
16 Citations (Scopus)
2002

A hypothetical mechanism for HIV-1 integrase catalytic action: DFT modelling of a bio-mimetric environment

Bernardi, F., Bottoni, A., De Vivo, M., Garavelli, M., Keserü, G. & Náray-Szabó, G., Aug 13 2002, In : Chemical Physics Letters. 362, 1-2, p. 1-7 7 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)
29 Citations (Scopus)
2001

Myoglobin

Karancsi-Menyhárd, D., Keseru, G. & Náray-Szabó, G., Jan 1 2001, In : Theoretical and Computational Chemistry. 9, p. 57-94 38 p.

Research output: Contribution to journalReview article

Quantitative estimation of electrostatic complementarity

Náray-Szabó, G., Dec 1 2001, In : Match. 44, p. 297-304 8 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2000

A new potent calmodulin antagonist with arylalkylamine structure: Crystallographic, spectroscopic and functional studies

Harmat, V., Böcskei, Z., Náray-Szabó, G., Bata, I., Csutor, A. S., Hermecz, I., Arányi, P., Szabó, B., Liliom, K., Vértessy, B. G. & Ovádi, J., Mar 31 2000, In : Journal of molecular biology. 297, 3, p. 747-755 9 p.

Research output: Contribution to journalArticle

31 Citations (Scopus)
1 Citation (Scopus)

Chemical fragmentation in a quantum mechanical treatment of extended covalent systems

Naray-Szabo, G., Jan 1 2000, In : Zhurnal Fizicheskoi Khimii. 74, 1, p. 41-47 7 p.

Research output: Contribution to journalArticle

Chemical fragmentation in quantum mechanical methods

Náray-Szabó, G., Jan 1 2000, In : Computers and Chemistry. 24, 3-4, p. 287-294 8 p.

Research output: Contribution to journalConference article

17 Citations (Scopus)

Construction of a 3D model of oligopeptidase B, a potential processing enzyme in prokaryotes

Gérczei, T., Keserü, G. M. & Náray-Szabó, G., Jan 1 2000, In : Journal of Molecular Graphics and Modelling. 18, 1, p. 7-17 11 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Electrostatic effects on the catalytic cleavage of ammonia at the stepped Si(111)-2 x 1 surface

Kádas, K., Füsti Molnár, L. & Náray-Szabó, G., Apr 28 2000, In : Journal of Molecular Structure: THEOCHEM. 501-502, p. 459-464 6 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Elektrosztatikus katalízis

Gábor, N. S., Jan 1 2000, In : Magyar Kemiai Folyoirat, Kemiai Kozlemenyek. 106, 8, p. 331-336 6 p.

Research output: Contribution to journalArticle