• 3032 Citations
  • 26 h-Index
1968 …2019

Research output per year

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Research Output

Article

3 Quantum mechanical treatment of enzyme reactions

Náray-Szabó, G. & Menyhárd, D. K., Dec 1 1998, In : Annual Reports on the Progress of Chemistry - Section C. 94, p. 49-88 40 p.

Research output: Contribution to journalArticle

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)

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)
8 Citations (Scopus)
39 Citations (Scopus)

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)

Application of topological molecular transforms to rational drug design

Gabanyi, Z., Surjan, P. & Naray-Szabo, G., Jan 1 1982, In : European Journal of Medicinal Chemistry. 17, 4, p. 307-311 5 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Approximate separation of the schrödinger equation

Náray-Szabó, G., Feb 10 1969, In : Physics Letters A. 28, 9, 1 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

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)

Atomic charge distribution in diamondlike amorphous carbon

Kugler, S. & Naray-Szabo, G., Jul 1991, In : Japanese Journal of Applied Physics. 30, 7, p. L1149-L1151

Research output: Contribution to journalArticle

7 Citations (Scopus)

Atomic charge distribution in fourfold coordinated amorphous materials. Carbon and silicon

Kugler, S. & Náray-Szabó, G., Oct 1 1991, In : Acta Physica Hungarica. 70, 4, p. 351-359 9 p.

Research output: Contribution to journalArticle

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)
32 Citations (Scopus)
9 Citations (Scopus)
4 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

Comparative QSAR study with electronic and steric parameters for cAMP derivatives with large substituents in positions 2, 6 and 8

Mureşan, S., Bologa, C., Mracec, M., Chiriac, A., Jastorff, B., Simon, Z. & Náray-Szabó, G., Oct 20 1995, In : Journal of Molecular Structure: THEOCHEM. 342, C, p. 161-171 11 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Comparative redox and pK(a) calculations on cytochrome c3 from several Desulfovibrio species using continuum electrostatic methods

Martel, P. J., Soares, C. M., Baptista, A. M., Fuxreiter, M., Náray-Szabó, G., Louro, R. O. & Carrondo, M. A., Feb 1 1999, In : Journal of Biological Inorganic Chemistry. 4, 1, p. 73-86 14 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)

Comparative study of imidazole hydration: Ab initio and electrostatic calculations vs. Cambridge structural database analysis

Alagona, G., Ghio, C., Nagy, P., Simon, K. & Náray-Szabó, G., 1990, In : Journal of Computational Chemistry. 11, 9, p. 1038-1046 9 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Comparison of protein electrostatic potential along the catalytic triad of serine proteinases

Angyan, J. & Náray-Szabó, G., Aug 7 1983, In : Journal of Theoretical Biology. 103, 3, p. 349-356 8 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)

Computational chemistry on a PC

Náray-Szabó, G., Ángyán, J. G., Surján, P., Szalóczy, Z., Ösapay, K., Kövesdi, I. & Kolossváry, I., 1990, In : International Journal of Quantum Chemistry. 38, 2, p. 163-171 9 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
8 Citations (Scopus)

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)
10 Citations (Scopus)

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)

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)
5 Citations (Scopus)

Crystallization and preliminary X-ray analysis of porcine muscle prolyl oligopeptidase

Böcskei, Z., Fuxreiter, M., Náray-Szabó, G., Szabó, E. & Polgár, L., Jan 1 1998, In : Acta Crystallographica Section D: Biological Crystallography. 54, 6 PART II, p. 1414-1415 2 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
30 Citations (Scopus)
3 Citations (Scopus)

Decoupled Hartree-Fock methods. III - An analysis for H2, Li2 and LiH

Náray-Szabó, G., Mar 1 1975, In : Acta Physica Academiae Scientiarum Hungaricae. 38, 3, p. 233-242 10 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Designed nucleophilic attack based on molecular electrostatic potential

Keserü, G. M., Kajtár-Peredy, M. & Náray-Szabó, G., Dec 5 1994, In : Tetrahedron Letters. 35, 49, p. 9255-9258 4 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

d-orbital participation in bonding in thiophene: Comparison of CNDO/2 and ab initio results

Náray-Szabó, G. & Peterson, M. R., Nov 1981, In : Journal of Molecular Structure: THEOCHEM. 85, 3-4, p. 249-255 7 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Effect of hydration on the FH... NH3 proton transfer reaction: Comparison of some quantum chemical approximations

Ángyán, J. & Náray-Szabó, G., Jan 1 1983, In : Theoretica chimica acta. 64, 1, p. 27-30 4 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Electrostatic catalysis in enzymes

Náray-Szabó, G., Sep 26 1988, In : Journal of molecular catalysis. 47, 2-3, p. 281-287 7 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
5 Citations (Scopus)
10 Citations (Scopus)
5 Citations (Scopus)

Electrostatic complementarity in molecular associations

Náray-Szabó, G., Jun 1989, In : Journal of Molecular Graphics. 7, 2, p. 76-81 6 p.

Research output: Contribution to journalArticle

41 Citations (Scopus)

Electrostatic complementarity in molecular associations

Náray-Szabó, G., Jun 1 1989, In : Journal of Molecular Graphics. 7, 2, 1 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Electrostatic complementarity within the substrate-binding pocket of trypsin.

Gráf, L., Jancsó, A., Szilágyi, L., Hegyi, G., Pintér, K., Náray-Szabó, G., Hepp, J., Medzihradszky, K. & Rutter, W. J., Jul 1988, In : Proceedings of the National Academy of Sciences of the United States of America. 85, 14, p. 4961-4965 5 p.

Research output: Contribution to journalArticle

Open Access
156 Citations (Scopus)
2 Citations (Scopus)

Electrostatic effect on catalytic rate enhancement in serine proteinases

Náray-Szabó, G., 1982, In : International Journal of Quantum Chemistry. 22, 3, p. 575-582 8 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)
24 Citations (Scopus)

Electrostatic effects in proteins

Náray-Szabó, G., Dec 1 1999, In : Periodicum Biologorum. 101, 4, p. 325-331 7 p.

Research output: Contribution to journalArticle

1 Citation (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)

Electrostatic isopotential maps for large biomolecules

Náray-Szabó, G., 1979, In : International Journal of Quantum Chemistry. 16, 2, p. 265-272 8 p.

Research output: Contribution to journalArticle

79 Citations (Scopus)
13 Citations (Scopus)