Our Projects

We are the prime contractor of the scrIN-SILICO project, funded by the European Union.

Our partners in current projects

Institute of Enzmology, Hungarian Academy of Science, Vertessy lab
Institute of Enzmology, Hungarian Academy of Science, Simon lab
Department of Physics, University of Messina
Math-for-Health LLC
Uratim Ltd.
Proteom Services Ltd.

People

Vince Grolmusz
Gábor Iván
Rafael Ördög
Tamás Rec
Dániel Bánky
Tamás Hubai

Former members

Annamária Ángyán
Viktor Szabó
Zoltán Szabadka
Elemér Hubenkó
Balázs Kósa

Picture gallery

Publications and Conference Presentations

Gábor Iván, Zoltán Szabadka, Vince Grolmusz: A Hybrid Clustering of Protein Binding Sites(preliminary version). The definitive version will appear in the FEBS Journal.

Gábor Iván, Zoltán Szabadka, Vince Grolmusz: On the asymmetry of the residue compositions of the binding sites on protein surfaces;  Journal of Bioinformatics and Computational Biology, Vol. 7. No. 6. (2009) pp. 931-938.

Rafael Ördög, Zoltán Szabadka, Vince Grolmusz: DECOMP: A PDB decomposition tool on the web, Bioinformation Vol. 3 No. 10. pp. 413-414 (2009)

Dániel Bánky, Rafael Ördög, Vince Grolmusz: NASCENT: An automatic protein interaction network generation tool for non-model organisms. Bioinformation Vol. 3 No. 8. pp. 361-363 (2009)

Rafael Ördög, Vince Grolmusz: On the bond graphs in the Delaunay-tetrahedra of the simplicial decomposition of spatial protein structures; Proceedings of the International Workshop on Practical Applications of Computational Biology & Bioinformatics (IWPACBB'09) LNCS 5518, University of Salamanca, June 10-12, 2009. Also available as a personal preprint version.

Gábor Iván, Zoltán Szabadka, Rafael Ördög, Vince Grolmusz, Gábor Náray-Szabó: Four Spatial Points That Define Enzyme Families, Biochemical and Biophysical Research Communications, Vol. 383, No. 4, pp. 417-420, (2009) doi:10.1016/j.bbrc.2009.04.022; also available as a personal preprint version.

K. Hill, C.B. Pénzes, B.G. Vértessy, Z. Szabadka, V. Grolmusz, É.Kiss: Amphiphilic Nature of New Antitubercular Drug Candidates and Their Interaction with Lipid Monolayer, Progr Colloid Polym Sci (2008) 135: 87–92, DOI 10.1007/2882_2008_117

Rafael Ördög, Vince Grolmusz: Evaluating Genetic Algorithms in Protein-Ligand Docking , Lecture Notes in Computer Science, Volume 4983/2008, page 402-413

Zoltán Szabadka, Rafael Ördög, Vince Grolmusz: The Ramachandran Map of More Than 6,500 Perfect Polypeptide Chains, Biophysical Reviews and Letters, Vol 2, No. 3 (2007), pp. 1-5

Rafael Ordog, Zoltán Szabadka, Vince Grolmusz: Analyzing the Simplicial Decomposition of Spatial Protein Structures; 6th International Conference on Bioinformatics (InCoB 2007), Hong Kong University of Science and Technology, Hong Kong, 27th-30th August, 2007; Journal version: BMC Bioinformatics, 2008, 9(Suppl 1):S11(doi:10.1186/1471-2105-9-S1-S11), http://www.biomed central.com/1471-2105/9/S1/S11

Zoltán Szabadka, Gábor Iván, Vince Grolmusz: Being a Binding-Site: Characterizing Residue-Composition of Binding Sites on Proteins 6th International Conference on Bioinformatics (InCoB 2007), Hong Kong University of Science and Technology, Hong Kong, 27th-30th August, 2007. Journal version: Bioinformation 2(5), 216-221 (2007), http://www.bio information.net/002/004800022007.htm

Gábor Iván: An Optimized Distance Function for Comparison of Protein Binding Sites, Brazilian Symposium on Bioinformatics (BSB), Angra dos Reis, Brazil, 29th-31th August, 2007, Lecture Notes in Computer Science Volume 4643/2007, pp. 93-100. http://www. springerlink.com/content/k14617662gm623g7/

Gábor Iván:Studying Binding Sites of Protein-Ligand Complexes using Data-Mining Algorithms; SEFI and IGIP Joint Annual Conference, Miskolc, Hungary, 1st-4th July, 2007

Zoltán Szabadka, Gábor Iván, Vince Grolmusz: Analyzing the Residue-Composition of Metal Binding Sites in the Whole Protein Data Bank. Mol. Biol. Cell 17(suppl), 535. (CD-ROM) (Appeared in the Proceedings of the 46th Annual Meeting of the American Society of Cell Biology, December 9-13, 2006, San Diego, CA).

Zoltán Szabadka, Vince Grolmusz:: High Throughput Processing of the Structural Information of the Protein Data Bank, Journal of Molecular Graphics and Modeling, 25 (2007) pp. 831-836 http://dx.doi.org/10 .1016/j.jmgm.2006.08.004

Zoltán Szabadka, Vince Grolmusz: Building a Structured PDB: The RS-PDB Database, Proceedings of the 28th IEEE EMBS Annual International Conference, New York City, Aug. 30-Sept 3, 2006., pp. 5755-5758.

Zoltán Szabadka, Vince Grolmusz: Re-Structuring the PDB , European Conference on Operational Research (EURO 2006) , July 2-5, 2006, Reykjavik, Iceland

Ördög Rafael, Vince Grolmusz: Optimizing the running-structure of genetic-based docking algorithms , 21st European Conference on Operational Research (EURO 2006) , July 2-5, 2006, Reykjavik, Iceland

Zoltán Szabadka, Vince Grolmusz: High Throughput Processing of the Structural Information of the Protein Data Bank DIMACS Workshop on Information Processing by Protein Structures in Molecular Recognition , June 13 - 14, 2005, DIMACS Center, Rutgers University

Balázs Kósa, Zoltán Szabadka, Vince Grolmusz: Mining Protein Binding Sites , European Life Science Organization Meeting (ELSO 2005 ) .

Zoltán Szabadka, Vince Grolmusz: High Throughput Processing of the Structural Information in the Protein Data Bank , European Life Science Organization Meeting (ELSO 2005 ).

Vince Grolmusz, Elemér Hubenkó: Clustering Binding Sites on Protein Surfaces, European Life Science Organization Meeting (ELSO 2005 ).