We offer in silico protein-ligand docking services on our state of the art computer cluster. We use our proprietary “Frigate” docking software for docking subsets from the purchasable ligand database of“ZINC” , with millions of molecules.

Our “Frigate” docking software, with its proprietary mathematical energy-optimization routines has found numerous  molecular hits in the following publications and patents:

	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation, Bioconjugate Chem., Articles ASAP (As Soon As Publishable) Publication Date (Web): April 19, 2012 (Article) DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation, Bioconjugate Chem., Articles ASAP (As Soon As Publishable) Publication Date (Web): April 19, 2012 (Article) DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation, Bioconjugate Chem., Articles ASAP (As Soon As Publishable) Publication Date (Web): April 19, 2012 (Article) DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation, Bioconjugate Chem., Articles ASAP (As Soon As Publishable) Publication Date (Web): April 19, 2012 (Article) DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation,  Bioconjugate Chem., 2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation,  Bioconjugate Chem., 2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation,  Bioconjugate Chem., 2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t
	WO2011089457  NOVEL MEDICINAL COMPOUNDS patent application
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation,  Bioconjugate Chem., 2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t
	Kata Horvati, Bernadett Bacsa, Nora Szabo, Sandor David, Gabor Mezo, Vince Grolmusz, Beata Vertessy, Ferenc Hudecz, and Szilvia Bosze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation,  Bioconjugate Chem., 2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t
	Christoph Scheich, Zoltan Szabadka, Beata Vertessy, Vera Putter, Vince Grolmusz, Markus Schade: Discovery of Novel  MDR-Mycobacterium tuberculosis Inhibitor by New FRIGATE Computational Screen. PLoS ONE 6(12): e28428. doi:10.1371/journal.pone.0028428 (2011).
	Christoph Scheich, Zoltan Szabadka, Beata Vertessy, Vera Putter, Vince Grolmusz, Markus Schade: Discovery of Novel  MDR-Mycobacterium tuberculosis Inhibitor by New FRIGATE Computational Screen. PLoS ONE 6(12): e28428. doi:10.1371/journal.pone.0028428 (2011).
	Christoph Scheich, Zoltan Szabadka, Beata Vertessy, Vera Putter, Vince Grolmusz, Markus Schade: Discovery of Novel  MDR-Mycobacterium tuberculosis Inhibitor by New FRIGATE Computational Screen. PLoS ONE 6(12): e28428. doi:10.1371/journal.pone.0028428 (2011).
	WO2011089456  NOVEL MEDICINAL COMPOUNDS patent application

Kata Horváti, Bernadett Bacsa, Nóra Szabó, Sándor Dávid, Gábor Mező, Vince Grolmusz, Beáta Vértessy, Ferenc Hudecz, and Szilvia Bősze: Enhanced Cellular Uptake of a New, in Silico Identified Antitubercular Candidate by Peptide Conjugation, Bioconjugate Chem.,2012, 23 (5), pp 900–907 DOI: 10.1021/bc200221t

K. Hill, C.B. Pénzes, B. Vértessy, Z. Szabadka, V. Grolmusz, E. 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

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

Patents: