• 3032 Citations
  • 26 h-Index
1968 …2019

Research output per year

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Research Output

1991

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

Weak bonds and atomic charge distribution in hydrogenated amorphous silicon

Kugler, S. & Náray-Szabó, G., 1991, In : Journal of Non-Crystalline Solids. 137-138, PART 1, p. 295-298 4 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
1990

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)

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)
1989

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)

Electrostatics in computer‐aided drug design

Náray-Szabó, G., 1989, In : International Journal of Quantum Chemistry. 36, 16 S, p. 87-99 13 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

How do serine proteases really work?

Náray-Szabó, G., Naray-Szabo, G., Sussman, F. & Hwang, J. K., 1989, In : Biochemistry. 28, 9, p. 3629-3637 9 p.

Research output: Contribution to journalArticle

398 Citations (Scopus)

Quantitative estimation of activities of mutant enzymes

Náray-Szabó, G., May 1 1989, In : Catalysis Letters. 2, 3, p. 185-190 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Rational design in genetic engineering: dream or reality? A priori predictions for thrombin and ribonuclease a mutants

Náray-Szabó, G., Nagy, J. & Bérces, A., Oct 1989, In : Journal of Molecular Structure: THEOCHEM. 200, C, p. 401-412 12 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
1988

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)

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)

Preface

Surján, P. R., Hudecz, F., Náray-Szabó, G. & Csizmadia, I. G., Jan 1 1988, In : Journal of Molecular Structure: THEOCHEM. 165, 3-4, p. v-xiv

Research output: Contribution to journalEditorial

Role of counter ions in trypsin acylation. NaCl effect

Vajda, T. & Naray-Szabo, G., Jan 1 1988, In : Acta biochimica et biophysica Hungarica. 23, 2, p. 195-202 8 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
1987
4 Citations (Scopus)
5 Citations (Scopus)

Molecular electrostatic fields from bond fragments

Nagy, P., Ángyán, J. G., Náray-Szabó, G. & Peinel, G., 1987, In : International Journal of Quantum Chemistry. 31, 6, p. 927-939 13 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

Towards a quantum chemical software package utilizing transferable fragments as molecular building blocks

Náray-Szabó, G., Kramer, G., Nagy, P. & Kugler, S., 1987, In : Journal of Computational Chemistry. 8, 4, p. 555-561 7 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
1986
10 Citations (Scopus)
13 Citations (Scopus)
11 Citations (Scopus)

Studies on naphthyridines. An unexpected product in Hantzsch pyridine synthesis

Balogh, M., Hermecz, I., Náray-Szabó, G., Simon, K. & Mészáros, Z., Dec 1 1986, In : Journal of the Chemical Society, Perkin Transactions 1. p. 753-757 5 p.

Research output: Contribution to journalArticle

28 Citations (Scopus)

Theoretical considerations on the extended Boulton-Katritzky scheme

Horváth, K., Korbonits, D., Náray-Szabó, G. & Simon, K., Apr 1986, In : Journal of Molecular Structure: THEOCHEM. 136, 3-4, p. 215-227 13 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)
1985
5 Citations (Scopus)
2 Citations (Scopus)

Electrostatic recognition in proteins.

Naray-Szabo, G. & Nagy, P., Jan 1 1985, In : Progress in clinical and biological research. 172 B, p. 105-113 9 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Preface

Náray-Szabó, G., Csizmadia, I. G. & Orville-Thomas, W. J., Jan 1 1985, In : Journal of Molecular Structure: THEOCHEM. 24, 1-2, 1 p.

Research output: Contribution to journalEditorial

Quantum chemical conformational analysis of the catalytic triad in α-chymotrypsin

Náray-Szabó, G., Surján, P. R. & Kiss, Á. I., Jul 1985, In : Journal of Molecular Structure: THEOCHEM. 24, 1-2, p. 85-95 11 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
26 Citations (Scopus)
1983
32 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)

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)

Through-space electrostatic field effect on protonation energies OF α,ω-diamino acids

Ösapay, K. & Náray-Szabó, G., 1983, In : Journal of Molecular Structure. 92, C, p. 57-62 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
14 Citations (Scopus)
1982

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)
10 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)
16 Citations (Scopus)

THEORETICAL CONFORMATIONAL ANALYSIS OF SUBSTITUTED PHENYLBENZOATES.

Birner, P., Kugler, S., Simon, K. & Naray-Szabo, G., Jan 1 1982, In : Molecular crystals and liquid crystals. 80, 1-4, p. 11-17 7 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)
1981

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)
3 Citations (Scopus)
8 Citations (Scopus)

Through-space electrostatic control in a novel regiospecific ring transformation of 1,3,4-trisubstituted maleimides

Seres, J., Náray-Szabó, G., Simon, K., Dakóczi-Csuka, K., Szilágyi, I. & Párkányi, L., 1981, In : Tetrahedron. 37, 8, p. 1565-1569 5 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Ultraviolet photoelectron spectra of group IV hexamethyl derivatives containing a metal-metal bond

Szepes, L., Korányi, T., Náray-Szabó, G., Modelli, A. & Distefano, G., Sep 1 1981, In : Journal of Organometallic Chemistry. 217, 1, p. 35-41 7 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)
1980

Stereochemistry of sulphilimine and sulphoxide formations in reactions of sulphides with chlorinating agents and nucleophiles

Ruff, F., Szabó, G., Vajda, J., Kövesdi, I. & Kucsman, Á., 1980, In : Tetrahedron. 36, 11, p. 1631-1641 11 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)
1979

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)