• 1600 Citations
  • 23 h-Index
19962020

Research output per year

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Article
2014

Global optimization of cholic acid aggregates

Jójárt, B., Viskolcz, B., Poša, M. & Fejer, S. N., Apr 14 2014, In : Journal of Chemical Physics. 140, 14, 144302.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Impairment of a model peptide by oxidative stress: Thermodynamic stabilities of asparagine diamide Cα-radical foldamers

Gerlei, K. Z., Élo, L., Fiser, B., Owen, M. C., Jákli, I., Knak Jensen, S. J., Csizmadia, I. G., Perczel, A. & Viskolcz, B., Feb 11 2014, In : Chemical Physics Letters. 593, p. 104-108 5 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Mixed micelles of sodium cholate and sodium dodecylsulphate 1:1 binary mixture at different temperatures - Experimental and theoretical investigations

Jójárt, B., Poša, M., Fiser, B., Szori, M., Farkaš, Z. & Viskolcz, B., Jul 8 2014, In : PloS one. 9, 7, e102114.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Molecular ageing: Free radical initiated epimerization of thymopentin - A case study

Sheykhkarimli, D., Choo, K. L., Owen, M., Fiser, B., Jójárt, B., Csizmadia, I. G. & Viskolcz, B., May 28 2014, In : Journal of Chemical Physics. 140, 20, 205102.

Research output: Contribution to journalArticle

2 Citations (Scopus)

The effect of hydroxyl moieties and their oxosubstitution on bile acid association studied in floating monolayers

Szekeres, M., Viskolcz, B., Poša, M., Csanádi, J., Škorić, D., Illés, E., Tóth, I. Y. & Tombácz, E., 2014, In : Scientific World Journal. 2014, 152972.

Research output: Contribution to journalArticle

1 Citation (Scopus)

The effect of oxidative stress on the bursopentin peptide structure: A theoretical study

Lam, A. T., Faragó, E. P., Owen, M. C., Fiser, B., Jójárt, B., Jensen, S. J. K., Csizmadia, I. G. & Viskolcz, B., May 28 2014, In : Physical Chemistry Chemical Physics. 16, 20, p. 9602-9609 8 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2013

Absorption spectrum and absolute absorption cross sections of CH 3O2 radicals and CH3I molecules in the wavelength range 7473-7497 cm-1

Faragó, E. P., Viskolcz, B., Schoemaecker, C. & Fittschen, C., Dec 5 2013, In : Journal of Physical Chemistry A. 117, 48, p. 12802-12811 10 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Atropisomerism of the Asn α radicals revealed by ramachandran surface topology

Gerlei, K. Z., Jákli, I., Szori, M., Jensen, S. J. K., Viskolcz, B., Csizmadia, I. G. & Perczel, A., Oct 17 2013, In : Journal of Physical Chemistry B. 117, 41, p. 12402-12409 8 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Controlled antioxidative steps of the cell. the concept of chalcogenicity

Fiser, B., Mucsi, Z., Viskolcz, B., Knak Jensen, S. J. & Csizmadia, I. G., Dec 18 2013, In : Chemical Physics Letters. 590, p. 83-86 4 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Glutathione - Hydroxyl Radical Interaction: A Theoretical Study on Radical Recognition Process

Fiser, B., Jójárt, B., Csizmadia, I. G. & Viskolcz, B., Sep 9 2013, In : PloS one. 8, 9, e73652.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions

Jákli, I., Csizmadia, I. G., Fejer, S. N., Farkas, Ö., Viskolcz, B., Knak Jensen, S. J. & Perczel, A., Mar 20 2013, In : Chemical Physics Letters. 563, p. 80-87 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory

Mucsi, Z., Chass, G. A., Ábrányi-Balogh, P., Jójárt, B., Fang, D. C., Ramirez-Cuesta, A. J., Viskolcz, B. & Csizmadia, I. G., Dec 21 2013, In : Physical Chemistry Chemical Physics. 15, 47, p. 20447-20455 9 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)
2012

Conformational and thermodynamic analysis of the COXIB scaffold using quantum chemical calculations

Owen, M. C., Szöri, M., Jojárt, B., Viskolcz, B. & Csizmadia, I. G., Feb 5 2012, In : International Journal of Quantum Chemistry. 112, 3, p. 922-936 15 p.

Research output: Contribution to journalArticle

Conformation-dependent oH/H2O2 hydrogen abstraction reaction cycles of Gly and Ala residues: A comparative theoretical study

Owen, M. C., Szóri, M., Csizmadia, I. G. & Viskolcz, B., Jan 26 2012, In : Journal of Physical Chemistry B. 116, 3, p. 1143-1154 12 p.

Research output: Contribution to journalArticle

28 Citations (Scopus)

Disulfidicity: A scale to characterize the disulfide bond strength via the hydrogenation thermodynamics

Galant, N. J., Lee, D. R., Fiser, B., Wang, H., Dawson, S. S. H., Ding, V. Z. Y., Setiadi, D. H., Mucsi, Z., Viskolcz, B., Knak Jensen, S. J. & Csizmadia, I. G., Jun 29 2012, In : Chemical Physics Letters. 539-540, p. 11-14 4 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Homology modeling and validation of the human M1 muscarinic acetylcholine receptor

Jórt, B., Balint, A. M., Balint, S. & Viskolcz, B., Sep 1 2012, In : Molecular Informatics. 31, 9, p. 635-638 4 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

The effect of newly developed OPLS-AA alanyl radical parameters on peptide secondary structure

Owen, M. C., Tóth, L., Jojárt, B., Komáromi, I., Csizmadia, I. G. & Viskolcz, B., Aug 14 2012, In : Journal of chemical theory and computation. 8, 8, p. 2569-2580 12 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
2011

A computational study of glutathione and its fragments: N-acetylcisteinylglycine and γ-glutamylmethylamide

Ding, V. Z. Y., Dawson, S. S. H., Lau, L. W. Y., Lee, D. R., Galant, N. J., Setiadi, D. H., Jójárt, B., Szöri, M., Mucsi, Z., Viskolcz, B., Knak Jensen, S. J. & Csizmadia, I. G., Apr 29 2011, In : Chemical Physics Letters. 507, 1-3, p. 168-173 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Antioxidant potential of glutathione: A theoretical study

Fiser, B., Szóri, M., Jójárt, B., Izsák, R., Csizmadia, I. G. & Viskolcz, B., Sep 29 2011, In : Journal of Physical Chemistry B. 115, 38, p. 11269-11277 9 p.

Research output: Contribution to journalArticle

27 Citations (Scopus)

Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?

Szori, M., Jójárt, B., Izsák, R., Szori, K., Csizmadia, I. G. & Viskolcz, B., Apr 28 2011, In : Physical Chemistry Chemical Physics. 13, 16, p. 7449-7458 10 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)
18 Citations (Scopus)

Pyrolysis of ethyl iodide as hydrogen atom source: Kinetics and mechanism in the temperature range 950-1200 K

Bentz, T., Szori, M., Viskolcz, B. & Olzmann, M., Oct 1 2011, In : Zeitschrift fur Physikalische Chemie. 225, 9-10, p. 1117-1128 12 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Quantum chemical analysis of the unfolding of a penta-alanyl 3 10-helix initiated by HO·, HO2 · and O2

Owen, M. C., Viskolcz, B. & Csizmadia, I. G., Jun 23 2011, In : Journal of Physical Chemistry B. 115, 24, p. 8014-8023 10 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)
7 Citations (Scopus)

The effect of a Pro28Thr point mutation on the local structure and stability of human galactokinase enzyme-a theoretical study

Jójárt, B., Szori, M., Izsák, R., Marsi, I., László, A., Csizmadia, I. G. & Viskolcz, B., Oct 1 2011, In : Journal of Molecular Modeling. 17, 10, p. 2639-2649 11 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Theoretical investigation of the conformational intricacies and thermodynamic functions of noradrenaline

Lee, D. R., Galant, N. J., Lee, D. M., Dawson, S. S. H., Ding, V. Z. Y., Setiadi, D. H., Viskolcz, B. & Csizmadia, I. G., Aug 1 2011, In : Canadian Journal of Chemistry. 89, 8, p. 1010-1020 11 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2010

Molecular dynamics simulation at high sodium chloride concentration: Toward the inactive conformation of the human adenosine A2A receptor

Jójárt, B., Kiss, R., Viskolcz, B., Kolossváry, I. & Keseru, G. M., Mar 18 2010, In : Journal of Physical Chemistry Letters. 1, 6, p. 1008-1013 6 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Polymerization dependence of the entropy of homo-oligomer peptides

Viskolcz, B., Csizmadia, I. G., Jensen, S. J. K. & Perczel, A., Dec 6 2010, In : Chemical Physics Letters. 501, 1-3, p. 30-32 3 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
2009

Ab initio study on alkyl radical decomposition and alkyl radical addition to olefins

Viskolcz, B. & Seres, L., Apr 1 2009, In : Reaction Kinetics and Catalysis Letters. 96, 2, p. 245-262 18 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

A quantitative scale for the extent of conjugation of substituted olefines

Mucsi, Z., Chass, G. A., Viskolcz, B. & Csizmadia, I. G., Jul 9 2009, In : Journal of Physical Chemistry A. 113, 27, p. 7953-7962 10 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

High accuracy ab initio calculations on reactions of OH with 1-alkenes. The case of propene

Izsák, R., Szori, M., Knowles, P. J. & Viskolcz, B., Sep 1 2009, In : Journal of chemical theory and computation. 5, 9, p. 2313-2321 9 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Network of hydrogen bonds in Pro-Ala-Pro and Pro-Phe-Pro diamides: A first principles study of Ala→Phe point mutation in proline environment

Wang, H., Csizmadia, I. G., Marsi, I., Chasse, G. A., Fang, D. & Viskolcz, B., Jul 30 2009, In : Journal of Chemical Physics. 131, 3, 035105.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Theoretical study on reactions of HO2 radical with photodissociation products of Cl2so (ClSO and SO)

Szori, M., Csizmadia, I. G., Fittschen, C. & Viskolcz, B., Sep 17 2009, In : Journal of Physical Chemistry A. 113, 37, p. 9981-9987 7 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer

Galant, N. J., Wang, H., Lee, D. J. R., Mucsi, Z., Setiadi, D. H., Viskolcz, B. & Csizmadia, I. G., Aug 13 2009, In : Journal of Physical Chemistry A. 113, 32, p. 9138-9149 12 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2008

Activation mechanism of the human histamine H4 receptor - An explicit membrane molecular dynamics simulation study

Jójárt, B., Kiss, R., Viskolcz, B. & Keseru, G. M., Jun 1 2008, In : Journal of Chemical Information and Modeling. 48, 6, p. 1199-1210 12 p.

Research output: Contribution to journalArticle

36 Citations (Scopus)
4 Citations (Scopus)

Quantitative scale for the extent of conjugation of carbonyl groups: "Carbonylicity" percentage as a chemical driving force

Mucsi, Z., Chass, G. A., Viskolcz, B. & Csizmadia, I. G., Sep 25 2008, In : Journal of Physical Chemistry A. 112, 38, p. 9153-9165 13 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)
9 Citations (Scopus)

Thermodynamics of competing oxidation reactions of allyl methyl disulfide by hydrogen peroxide: a first principle molecular computational study on the conformations of allyl methyl disulfide and its oxidized products

Andrada, M. F., Martínez, J. C. G., Szori, M., Zamarbide, G. N., Vert, F. T., Viskolcz, B., Estrada, M. R. & Csizmadia, I. G., Dec 1 2008, In : Journal of Physical Organic Chemistry. 21, 12 SPEC. ISS., p. 1048-1058 11 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2007

3D QSAR models for α2a-adrenoceptor agonists

Balogh, B., Jójárt, B., Wágner, Z., Kovács, P., Máté, G., Gyires, K., Zádori, Z., Falkay, G., Márki, Á., Viskolcz, B. & Mátyus, P., Oct 1 2007, In : Neurochemistry international. 51, 5, p. 268-276 9 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Allylic hydrogen abstraction II. H-abstraction from 1,4 type polyalkenes as a model for free radical trapping by polyunsaturated fatty acids (PUFAs)

Szori, M., Abou-Abdo, T., Fittschen, C., Csizmadia, I. G. & Viskolcz, B., Apr 19 2007, In : Physical Chemistry Chemical Physics. 9, 16, p. 1931-1940 10 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
37 Citations (Scopus)

A quantitative scale for the extent of conjugation of the amide bond, amidity percentage as a chemical driving force

Mucsi, Z., Tsai, A., Szori, M., Chass, G. A., Viskolcz, B. & Csizmadia, I. G., Dec 20 2007, In : Journal of Physical Chemistry A. 111, 50, p. 13245-13254 10 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)

Can four-membered heterophosphete structures exist? The contribution of phosphorus d orbitals to antiaromaticity

Mucsi, Z., Kötvélyesi, T., Viskolcz, B., Csizmadia, I. G., Novák, T. & Keglevich, G., Jun 22 2007, In : European Journal of Organic Chemistry. 11, p. 1759-1767 9 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

Information accumulation in helical oligopeptide structures

Viskolcz, B., Fejer, S. N., Knak Jensen, S. J., Perczel, A. & Csizmadia, I. G., Dec 14 2007, In : Chemical Physics Letters. 450, 1-3, p. 123-126 4 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
14 Citations (Scopus)
14 Citations (Scopus)
3 Citations (Scopus)

Transition state infrared spectra for the Trans→Cis isomerization of a simple peptide model

Sahai, M. A., Szöri, M., Viskolcz, B., Pai, E. F. & Csizmadia, I. G., Aug 30 2007, In : Journal of Physical Chemistry A. 111, 34, p. 8384-8389 6 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)