Representative Publications

1. Khandelwal A., Balaz S.: QM/MM Linear Response method distinguishes ligand binding affinities for closely related metalloproteins. Proteins: Structure, Function, and Bioinformatics (2007, accepted).

2. Khandelwal A., Balaz, S.: Improved estimation of ligand-macromolecule binding affinities by a Linear Response approach using a combination of multi-mode MD simulation and QM-MM methods. Journal of Computer-Aided Molecular Design 21 (2007) 131-137.

3. Lukacova V., Peng M., Fanucci G., Tandlich R., Hinderliter A., Maity B., Mannivanan E., Cook G. R., Balaz S.: Drug-membrane interactions studied in phospholipid monolayers adsorbed on nonporous alkylated microspheres. Journal of Biomolecular Screening 12 (2007) 186-202.

4. Zhang Y., Lukacova V., Bartus V., Balaz S.: Structural determinants of binding of aromates to extracellular matrix: A multi-species multi-mode CoMFA study. Chemical Research in Toxicology 20 (2007) 11-19.

5. Lukacova V., Peng M., Tandlich R., Hinderliter A., and Balaz S.: Partitioning of organic compounds in phases imitating headgroup and core regions of phospholipid bilayers. Langmuir 22 (2006) 1869-1874.

6. Khandelwal A., Lukacova V., Comez D., Kroll D. M., Raha S., Balaz S.: A combination of docking, QM/MM Methods, and MD simulation for binding affinity estimation of metalloprotein ligands. Journal of Medicinal Chemistry 48 (2005) 5437-5447.    [top]

7. Khandelwal A., Lukacova V., Kroll D. M., Raha S., Comez D., Balaz S.: Processing multi-mode binding situations in simulation-based prediction of ligand-macromolecule affinities. Journal of Physical Chemistry A 109 (2005) 6387-6391.

8. Lukacova V., Zhang Y., Kroll D. M., Raha S., Comez D., Balaz S.: A comparison of the binding sites of matrix metalloproteinases and tumor necrosis factor-a converting enzyme: Implications for selectivity. Journal of Medicinal Chemistry 48 (2005) 2361-2370.     [top]

9. Khandelwal A., Lukacova V., Kroll D. M., Comez D., Raha S., Balaz S.: Simulation-based prediction of binding affinities of matrix metalloproteinase inhibitors. QSAR and Combinatorial Science 23 (2004) 754-766.

10. Lukacova V., Zhang Y., Mackov M., Baricic P., Raha S., Calvo J.A., Balaz S.: Similarity of binding sites of human matrix metalloproteinases. Journal of Biological Chemistry 279 (2004) 14194-14200.

11. Hu X., Balaz S., Shelver W.H.: An improved approach to docking of ligands to zinc metalloproteinases. Journal of Molecular Graphics and Modeling 22 (2004) 293-307.

12. Lukacova V., Balaz S.: Multi-mode ligand binding in receptor site modeling: Implementation in CoMFA. Journal of Chemical Information and Computer Science 43 (2003) 2093-2105.   

13. Balaz S., Lukacova V.: Subcellular pharmacokinetics and its potential in library focusing. Journal of Molecular Graphics and Modeling 20 (2002) 479-490.

14. Balaz S.: Subcellular Pharmacokinetics: One-compartment model. American Journal of Pharmaceutical Education 66 (2002) 66-71.

15. Balaz S.: Lipophilicity in trans-bilayer transport and subcellular pharmacokinetics. Perspectives in Drug Discovery and Design 19 (2000) 157-177.     [top]

16. Balaz S., Lukacova V.: A model-based dependence of the human blood/tissue partition coefficients of chemicals on lipophilicity and tissue composition. Quantitative Structure-Activity Relationships 18 (1999) 361-368.

17. Hornak V., Balaz S., Schaper K.J., Seydel, J.K. Multiple binding modes in 3D-QSAR: Microbial degradation of polychlorinated biphenyls. Quantitative Structure-Activity Relationships 17 (1998) 427-436.

18. Pirselova K., Balaz S., Sturdik E., Ujhelyova R., Veverka M., Uher M., Brtko J.: Quantitative structure-time-activity relationships (QSTAR): pH-Dependent growth inhibition of Escherichia coli by ionizable and nonionizable kojic acid derivatives. Quantitative Structure-Activity Relationships 16 (1997) 283-289.     [top]

19. Dvorsky R., Balaz S., Sawchuk R.J.: Kinetics of subcellular distribution of compounds in simple biosystems and its use in QSAR. Journal of Theoretical Biology 185 (1997) 213-222.

20. Pirselova K., Balaz S., Ujhelyova R., Sturdik E., Veverka M., Uher M., Brtko J.: Quantitative structure-time-activity relationships (QSTAR): Growth inhibition of Escherichia coli by nonionizable kojic acid derivatives. Quantitative Structure-Activity Relationships 15 (1996) 87-93.

21. Balaz S., Pirselova K., Schultz T.W., Hermens J.L.M.: Kinetics of subcellular distribution of multiply ionizable compounds: A mathematical description and its use in QSAR. Journal of Theoretical Biology 178 (1996) 7-16.     [top]

22. Balaz S.: Model-based description of distribution of chemicals in biosystems after continuous dose. SAR and QSAR in Environmental Sciences 4 (1995) 177-187.

23. Janecek S., Balaz S.: Functionally essential, invariant glutamate near the C-termini of strand b₅ in various (a/b)₈-barrel enzymes as possible indicator of their evolutionary relatedness. Protein Engineering 8 (1995) 809-813.

24. Balaz S.: Subcellular pharmacokinetics and drug properties: numerical simulations in multicompartment systems. Quantitative Structure-Activity Relationships 13 (1994) 381-392.     [top]

25. Pirselova K., Balaz S.: Acidity of the environment and intracellular distribution of ionizable substances. Chemometrics and Intelligent Laboratory Systems 24 (1994) 193-196.

26. Balaz S., Hornak V., Haluska L.: Receptor mapping with multiple binding modes: binding site of PCB-degrading enzyme. Chemometrics and Intelligent Laboratory Systems 24 (1994) 185-191.

27. Balaz S.: Quantitative structure-time-activity relationships. Chemometrics and Intelligent Laboratory Systems 24 (1994) 177-183.     [top]

28. Janecek S., Balaz S.: Evolution of parallel a/b-barrel enzyme family lightened by structural data on starch processing enzymes. Journal of Protein Chemistry 12 (1993), 509-514.

29. Balaz S., Wiese M., Seydel J.K.: A time-hierarchy based model for kinetics of intracellular drug disposition and its use in QSAR. Journal of Pharmaceutical Sciences 81 (1992) 849-857.

30. Balaz S., Wiese M., Han-lin Chi, Seydel J.K.: Subcellular pharmacokinetics and quantitative structure-time-activity relationships. Analytica Chimica Acta 235 (1990) 195-207.     [top]

31. Balaz S., Sturdik E., Augustin J.: Disposition of low-molecular-weight compounds in biosystems. Bulletin of Mathematical Biology 50 (1988) 367-378.

32. Balaz S., Sturdik E., Rosenberg M., Augustin J., Skarka B.: Kinetics of drug activities as influenced by their physico-chemical properties: Antibacterial effects of alkylating 2-furylethylenes. Journal of Theoretical Biology 131 (1988) 115-134.

33. Balaz S., Kuchar A., Drevojanek J., Adamcova J., Vrbanova A.: Liposome/saline partition coefficients of low-molecular-weight solutes by gel chromatography. Journal of Biochemical and Biophysical Methods 16 (1988) 75-86.     [top]

34. Balaz S., Sturdik E., Durcova E., Antalik M., Sulo P.: Quantitative structure-activity relationship of carbonyl cyanide phenylhydrazones as uncouplers of mitochondrial oxidative phosphorylation. Biochimica et Biophysica Acta 851 (1986) 93-98.

35. Balaz S., Sturdik E., Augustin J.: Kinetics of unidirectional transport in multimembrane systems as influenced by binding to macromolecules. Biophysical Chemistry 24 (1986) 135-142.

36. Balaz S., Sturdik E., Dibus Igor, Ebringer L., Stibranyi L., Rosenberg M.: Quantitative relationship between lipophilicity and mutagenic effects of N-substituted amides of 3-(5-nitro-2-furyl)-acrylic acid on Salmonella typhimurium. Chemico-Biological Interactions 55 (1985) 93-108.     [top]

37. Balaz S., Sturdik E., Hrmova M., Breza M., Liptaj T.: Kinetics of drug partitioning in closed 4-compartment systems and its application to QSAR. European Journal of Medicinal Chemistry 19 (1984) 167-171.

38. Sturdik E., Drobnica L., Balaz S., Marko V.: Reaction of vinylfurans with sulphhydryl and amino groups. Biochemical Pharmacology 28 (1979) 2525-2530.

Last Updated: February 28, 2006