List of publications (Jan. 2007)



Articles:

  1. Horvath, D., Silaghi-Dumitrescu, I., An Interactive Chemical Formula Interpreter, Studia Univ. Babes-Bolyai; Chemia, 13, 25 (1989)

  2. Horvath, D., Silaghi-Dumitrescu, I., Molecular Mechanics Software for PDP-compatible Microcomputers, Rev. Rom. Chim. (1990)

  3. Diudea, M.V., Horvath, D., Kacso I.E., Minailiuc O.M., Parv, B., Molecular Topology. 8. Centricities In Molecular Graphs - The Molcen Algorithm, Journal Of Mathematical Chemistry 11, 259-270 (1992)

  4. Horvath, D., Silaghi-Dumitrescu, I. An Improved First-Order Optimization Method Taking Account of the Molecular Topology, Studia Univ. Babes-Bolyai; Chemia, 39, 15-27 (1994)

  5. Diudea, M.V. Horvath, D., Bonchev, M., MOLORD Algorithm and Real Number Subgraph Invariants, Croat. Chem. Acta, 68, 131 (1995)

  6. Diudea, M.V. Horvath, D., Graovac, A. 3D Distance Matrices and Related Topological Indices, J. Chem. Inf. Comp. Sci., 35, 129 (1995)

  7. Bourel, L. Willard, X., Pop, I., Baudelle, R., Horvath, D., Deprez, B., Melnyk, P., Tartar, A. Synthése Combinatoire, L'Actualité Chimique 33 (Dec. 1995)

  8. Melnyk, P., Bourel, L., Willard, X., Pop, I., Horvath, D., Deprez, B., Tartar, A. Combinatorial Chemistry: A rational access to molecular diversity, Act. Chim. Ther., 22, 51 (1996)

  9. Willard, X., Pop, I., Horvath, D., Baudelle, R., Melnyk,, P., Deprez, B., Tartar, A. Combinatorial Chemistry: A rational approach to chemical diversity, Eur. J. Med. Chem., 31, 87 (1996)

  10. Horvath, D., van Belle, D., Lippens, G., Wodak, S.J., Development and Parametrization of Continuum Solvent Models. I. Models based on the Boundary Element Method, J. Chem. Phys 104, 6679-6695 (1996)

  11. Horvath, D., van Belle, D., Lippens, G., Development and Parametrization of Continuum Solvent Models. II. An Unified Approach to the Solvation Problem, J. Chem. Phys 105, 4197 (1996)

  12. Baillet, S., Buisine, E., Horvath, D. Maes, L., Bonnet, B., Sergheraert, C. 2-Aminodiphenylsulphides as Inhibitors of Trypanothione Reductase: Modification of the Side Chain, Biooorg. Med. Chem., 6, 891-899 (1996)

  13. Horvath, D., A Virtual Screening Approach Applied to the Search of Trypanothione Reductase Inhibitors, J. Med. Chem., 15, 2412-2423 (1997)

  14. Horvath, D., Deprez, B., Tartar, A. High Throughput Molecular Modeling Using Fast 3D Descriptors, Act. Chim. Ther. 23, 55-67 (1997)

  15. Bonnet, B., Soullez, D., Davioud-Charvet, E., Landry, V., Horvath, D., Sergheraert, C., New Spermine and Spermidine Derivatives as Potent Inhibitors of Trypanosoma Cruzi Trypanothione Reductase, Bioorg. Med. Chem. 7, 1249-1256 (1997)

  16. Girault, S., Baillet, S., Horvath, D., Lucas, V., Davioud-Charvet, E., Tartar, A., Sergheraert, C. New Potent Inhibitors of Trypanothione Reductase from Trypanosoma Cruzi in the 2-Aminodiphenylsulfide Series, Eur. J. Med. Chem., 32, 39-52 (1997)

  17. Lippens, G., Wieruszeski, J.-M., Horvath, D. Talaga, P., Bohin, J.P. Slow Dynamics of the Cyclic Osmoregulated Periplasmic Glucan of Ralstonia solanacearum as Revealed by Heteronuclear Relaxation Studies, J. Am. Chem. Soc., 120, 170-177 (1997)

  18. Braban, M.; Pop, I.; Willard, X; Horvath, D., Reactivity Prediction Models Applied to the Selection of Novel Candidate Building Blocks for High Throughput Organic Synthesis of Combinatorial Libraries, J. Chem. Inf. Comp. Sci., 39, 1119-1127 (1999)

  19. Horvath, D., Recursive Partitioning Analysis of µ-Opiate Receptor High Throughput Screening Results, SAR and QSAR in Environmental Research, 12, 181-212, (2001)

  20. Poulain, R.; Horvath, D.; Bonnet, B.; Eckoff, C.; Chapelain, B.; Bodinier, M-C.; Deprez, B. From Hit to Lead. Combining Two Complementary Methods for Focused Library Design Application to µ Opiate Ligands; J. Med. Chem., 44, 3378-3390, (2001)

  21. Poulain, R.; Horvath, D.; Bonnet, B.; Eckoff, C.; Chapelain, B.; Bodinier, M-C.; Deprez, B. From Hit to Lead. Analyzing Structure-Profile Relationships; J. Med. Chem., 44, 3391-3401, (2001).

  22. Hamdane, M., Smet, C., Sambo, A.V., Leroy, A., Wieruszeski, J.M., Delobel, P., Maurage, C.A., Ghestem, A., Wintjens, R., Begard, S., Sergeant, N., Delacourte, A., Horvath, D., Landrieu, I., Lippens, G., Buee, L., Pin1: A Therapeutic Target in Alzheimer Neurodegeneration, J. Mol. Neurosci., 19, 275-288, (2002).

  23. Horvath, D.; Jeandenans, C.; Neighborhood Behavior of In Silico Structural Spaces with respect to In Vitro Activity Spaces – A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles., J. Chem. Inf. Comp. Sci., 43, 680-690, (2003)

  24. Horvath, D.; Jeandenans, C.; Neighborhood Behavior of In Silico Structural Spaces with respect to In Vitro Activity Spaces – A Benchmark for Neighborhood Behavior Assessment of Different In Silico Similarity Metrics., J. Chem. Inf. Comp. Sci, 43, 691-698, (2003)

  25. Horvath, D., Mao, B. Neighborhood Behavior – Fuzzy Molecular Descriptors and their Influence on the Relationship between Structural Similarity and Property Similarity, QSAR & Comb. Sci., 22, 498-509, (2003)

  26. Krejsa, CM, Horvath D, Rogalski SL, Penzotti JE, Mao B, Barbosa F, Migeon JC, Predicting ADME properties and side effects: the BioPrint approach, Curr Opin Drug Discov Devel. 6, 470-80, (2003)

  27. Horvath, D.; Barbosa, F., Neighborhood Behavior – the Relation Between Chemical Similarity and Property Similarity, Curr. Trends Med. Chem., 4, 589-600, (2004)

  28. Gozalbes, R., Rolland C., Nicolaï, E., Paugam M.-F., Coussy L., Horvath D., Barbosa F., Mao B., Revah F., Froloff, N. QSAR strategy and experimental validation for the development of a GPCR focused library, QSAR & Comb. Sci, 24, 508-16 (2005)

  29. Rolland, C., Gozalbes, R., Nicolai, E., Paugam, M.F., Coussy, L., Barbosa, F., Horvath, D., Revah, F., G-protein-coupled receptor affinity prediction based on the use of a profiling dataset: QSAR design, synthesis, and experimental validation. J. Med. Chem., 48, 6563-74 (2005)

  30. Parent, B., Kökösy, A., Horvath, D., Optimized Evolutionary Strategies in Conformational Sampling. Soft Computing, 11, 63-79 (2007)

  31. Tantar, A.-A., Melab, N., Talbi E.-G., Parent, B., Horvath, D., A parallel hybrid genetic algorithm for protein structure prediction on the computational grid, Future Generation Computer Systems, 23, 398-409 (2007)

  32. Bonachéra, F., Parent, B., Barbosa, F., Froloff, N., Horvath, D., Fuzzy Tricentric Pharmacophore Fingerprints. 1 - Topological Fuzzy Pharmacophore Triplets and adapted Molecular Similarity Scoring Schemes, J. Chem. Inf. Mod., 46, 2457-2477 (2006)

  33. Horvath, D., Bonachera, F., Solov'ev, V., Gaudin, C, Varnek, A., Stochastic versus Stepwise Strategies for Quantitative Structure-Activity Relationship Generation-How Much Effort May the Mining for Successful QSAR Models Take?, J. Chem. Inf. Mod., 47, 927-939 (2007)

  34. Hanoulle, X., Melchior, A., Sibille, N., Parent, B., Denys, A., Wieruszeski, J.-M., Horvath, D., Allain, F., Lippens, G., Landrieu, I., Structural and Functional Characterization of the Interaction between Cyclophilin B and a Heparin-derived Oligosaccharide, J. Biol. Chem., 282, 34148-34158 (2007)



Books & Book Chapters:

  1. Horvath, D. Silaghi-Dumitrescu, I. 'Mecanica Moleculara', Ed. Univ. Cluj-Napoca, Romania (1996).

  2. Horvath, D. ComPharm: Automated Comparative Analysis of Pharmacophoric Patterns and Derived QSAR Approaches, Novel Tools in High Throughput Drug Discovery. A Proof of Concept Study Applied to Farnesyl Protein Transferase Inhibitor Design, pp. 395-439; in 'QSPR / QSAR Studies by Molecular Descriptors', Diudea, M., Editor, Nova Science Publishers, Inc., New York (2001)

  3. Horvath, D., High Throughput Conformational Sampling & Fuzzy Similarity Metrics: A Novel Approach to Similarity Searching and Focused Combinatorial Library Design and its Role in the Drug Discovery Laboratory, pp 429-472, in 'Combinatorial Library Design and Evaluation: Principles, Software Tools and Applications', Ghose, A. & Viswanadhan,V. Eds., Marcel Dekker, Inc., New York (2001)

  4. Horvath, D. , Mao, B., Gozalbes, R., Barbosa, F., Rogalski, S., Strenght and Limitations of Pharmacophore-Based Virtual Screening, in 'Cheminformatics in Drug Discovery'. Oprea, T.I. Ed., WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim (2004)

  5. Gozalbes, R., Barbosa, F., Froloff, N., Horvath, D., The BioPrint Approach for the Evaluation of ADME-T Properties: Application to the Prediction of Cytochrome P450 2D6 Inhibition., in 'Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies', Testa, B., Krämer, S.D., Wunderli-Allenspach, H., Folkers, G. Eds., , VHCA, Zrich, WILEY-VCH, Weinheim, pp. 395-415 (2006)

  6. Horvath, D., L'annotation et la classification de lespace chimique pour la chemogénomique, in 'CHEMOGENOMIQUE : Des petites molécules pour explorer le vivant.' Edited by E. Marchal, S. Roy and L. Lafanechère. Grenoble Sciences (2007): in press



Patents:

  1. Horvath, D., Method of Virtual Retrieval of Analogs of Lead Compounds by Constituting Potential Libraries. Patent# 97402620.5-2201, European Patent Office (Feb. 1999).

  2. Horvath, D. Method of predicting biological activity profiles based on the neighborhood behavior of in silico similarity metrics calibrated with respect to activity spaces. Patent# 01402656.1-2212, European Patent Office (Dec. 2001)



Participation in collaborative research projects: