Founded in 1975 as an independent research institution, now part of Vilnius University, the Institute of Biotechnology strives to maintain the high standards of excellence in scientific endeavour, research training and technological advance with its main focus in a broadly defined field of molecular biotechnology including nucleic acid and protein technologies, bioinformatics, molecular diagnostics, drug design, next generation epigenomic and gene editing technologies. The Institute provides an interface between advanced education, basic research and technological development for the economic and social benefit of Lithuania.


Department of Biothermodynamics and Drug Design • Publications



We use and recommend American Journal Experts for paper editing

Scientific publications

Mork?nait? V., Gylyt? J., Zubrien? A., Baranauskien? L., Kišonait? M., Michailovien? V., Juozapaitien? V., Todd M.J., Matulis D. 2015. Intrinsic thermodynamics of sulfonamide inhibitor binding to human carbonic anhydrases I and II. J Enzyme Inhib Med Chem, 30:204-11.

Redhead M., Satchell R., Mork?nait? V., Swift D., Petrauskas V., Golding E., Onions S., Matulis D., Unitt J. 2015. A combinatorial biophysical approach; FTSA and SPR for identifying small molecule ligands and PAINs. Anal Biochem, 479:63-73.

Dudutien? V., Zubrien? A., Smirnov A., Timm D., Smirnovien? J., Kazokait? J., Michailovien? V., Zakšauskas A., Manakova E., Gražulis S., Matulis D. 2015. Functionalization of fluorinated benzenesulfonamides and their inhibitory properties toward carbonic anhydrases. ChemMedChem, 10:662-87.

Kazokait? J., Milinavi?i?t? G., Smirnovien? J., Matulien? J., Matulis D. 2015. Intrinsic binding of 4-substituted-2,3,5,6-tetrafluorobenezenesulfonamides to native and recombinant human carbonic anhydrase VI. FEBS J, 282:972-83.

Pilipuityt? V., Matulis D. 2015. Intrinsic thermodynamics of trifluoromethanesulfonamide and ethoxzolamide binding to human carbonic anhydrase VII. J Mol Recognit, 28:166-72.

Zubrien? A., Smirnovien? J., Smirnov A., Mork?nait? V., Michailovien? V., Jachno J., Juozapaitien? V., Norvaišas P., Manakova E., Gražulis S., Matulis D. 2015. 4-substituted-2,3,5,6-tetra?uorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys Chem, 205:51-65.

Dudutien? V., Matulien? J., Smirnov A., Timm D.D., Zubrien? A., Baranauskien? L., Mork?naite V., Smirnovien? J., Michailovien? V., Juozapaitien? V., Mickevi?i?t? A., Kazokait? J., Bakšyt? S., Kasiliauskait? A., Jachno J., Revuckien? J., Kišonait? M., Pilipuityt? V., Ivanauskait? E., Milinavi?i?t? G., Smirnovas V., Petrikait? V., Kairys V., Petrauskas V., Norvaišas P., Ling? D., Gibieža P., Capkauskait? E., Zakšauskas A., Kazlauskas E., Manakova E., Gražulis S., Ladbury J.E., Matulis D. 2014. Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J Med Chem. 57:9435-46.

Rutkauskas K., Zubrien? A., Tumosien? I., Kantminien? K., Kažem?kait? M., Smirnov A., Kazokait? J., Mork?nait? V., ?apkauskait? E., Manakova E., Gražulis S., Beresnevi?ius Z.J., Matulis D. 2014. 4-amino-substituted benzenesulfonamides as inhibitors of human carbonic anhydrases. Molecules. 19:17356-80.

Mork?nait? V., Baranauskien? L., Zubrien? A., Kairys V., Ivanova J., Trapencieris P., Matulis D. 2014. Saccharin sulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Biomed Res Int, 2014:638902.

Petrikaite V., Matulis D. 2014 Inhibitor binding to Hsp90: a review of thermodynamic, kinetic, enzymatic, and cellular assays. Curr Protein Pept Sci, 15:256-82.

Zubrien? A., ?apkauskait? E., Gylyt? J., Kišonait? M., Tumkevi?ius S., Matulis D. 2014. Benzenesulfonamides with benzimidazole moieties as inhibitors of carbonic anhydrases I, II, VII, XII and XIII. J Enzyme Inhib Med Chem, 29:124-31.

Kišonait? M., Zubrien? A., Capkauskait? E., Smirnov A., Smirnovien? J., Kairys V., Michailovien? V., Manakova E., Gražulis S., Matulis D. 2014. Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII. PLoS One, 9:e114106.

Dekaminaviciute, D., Lasickiene, R., Parkkila, S., Jogaite, V., Matuliene, J., Matulis, D. and Zvirbliene, A. 2014. Development and Characterization of New Monoclonal Antibodies against Human Recombinant CA XII. BioMed Research International, 2014:309307.

Jogait? V., Zubrien? A., Michailovien? V., Gylyt? J., Mork?nait? V., Matulis D. 2013. Characterization of human carbonic anhydrase XII stability and inhibitor binding. Bioorg Med Chem, 21:1431-6.

Dudutien? V., Zubrien? A., Smirnov A., Gylyt? J., Timm D., Manakova E., Gražulis S., Matulis D. 2013. 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg Med Chem, 21:2093-106.

?apkauskait?, E., Zubrien?, A., Smirnov, A., Torresan, J., Kišonait?, M., Kazokait?, J., Gylyt?, J., Michailovien?, V., Jogait?, V., Manakova, E.,  Gražulis, S., Tumkevi?ius, S., Matulis, D. 2013. Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII. Bioorg Med Chem, 21:6937-6947.

Petrauskas, V., Gylyt?, J., Toleikis, Z., Cimmperman, P., Matulis, D. 2013. Volume of Hsp90 ligand binding and the unfolding phase diagram as a function of pressure and temperature.  Eur Biophys J, 42:355-362.

Baranauskien?, L., Matulis, D. 2012. Intrinsic thermodynamics of ethoxzolamide inhibitor binding to human carbonic anhydrase XIII.  BMC Biophys, 5:12.

Pirrie, L., McCarthy, A., Major, L., Mork?nait?, V., Zubrien?, A., Matulis, D., Lain, S., Lebl, T., Westwood, N. 2012. Discovery and Validation of SIRT2 Inhibitors Based on Tenovin-6: Use of a 1H-NMR Method to Assess Deacetylase Activity. Molecules, 17:12206-12224.

Sharp, S., and Roe, M., Kazlauskas, E., ?ikotien?, I., Workman, P., Matulis, D., Prodromou, C. 2012. Co-Crystalization and In Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. PLoS ONE, 7:e44642.

?apkauskait?, E., Zubrien?, A., Baranauskien?, L., Tamulaitien?, G., Manakova, E., Kairys, V., Gražulis, S., Tumkevi?ius, S., Matulis, D. 2012. Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. European Journal of Medicinal Chemistry, 51:259-270.

Toleikis, Z. and Cimmperman, P. and Petrauskas, V. and Matulis, D. 2012 Serum albumin ligand binding volumes using high pressure denaturation. Journal of Chemical Thermodynamics, 52:24-29.

Norvaišas, P., Petrauskas, V., Matulis, D. 2012 Thermodynamics of cationic and anionic surfactant interaction. J Phys Chem B, 116:2138-2144.

Labanauskas, L., Dudutiene, V., Urbelis, G., Sarlauskas, J., Sudzius, J., Matulis, D., Striela, R., Zilinskas, A. 2012. Synthesis of substituted 2?4?2-[1,2,3]thiadiazolo[3,4-c]benzimid-azoles and 2?4?2-[1,2,3,5]thiatriazolo[3,4-c]benzimidazoles. ARKIVOC, VIII:17-26.

Giessrigl, B., Krieger, S., Rosner, M., Huttary, N., Saiko, P., Alami, M., Messaoudi, S., Peyrat, J., and Maciuk, A., Gollinger, M., Kopf, S., Kazlauskas, E., Mazal, P., Szekeres, T., Hengstschläger, M., Matulis, D., Jäger, W., Krupitza, G. 2012. Hsp90 stabilises Cdc25A and counteracts heat shock mediated Cdc25A degradation and cell cycle attenuation in pancreatic carcinoma cells. Hum Mol Genet, 21: 4615-4627.

Kazlauskas, E., Petrikaite, V., Michailoviene, V., Revuckiene, J., Matuliene, J., Grinius, L., Matulis, D. 2012. Thermodynamics of Aryl-Dihydroxyphenyl-Thiadiazole Binding to Human Hsp90. PLoS ONE, 7:e36899.

Cimmperman, P. and Matulis, D. 2011. Protein Thermal Denaturation Measurements via a Fluorescent Dye. Invited review to the book: RSC Biomolecular Sciences No. 22. Biophysical Approaches Determining Ligand Binding to Biomolecular Targets: Detection, Measurement and Modelling. Edited by A. Podjarny, A. Dejaegere, and B. Kieffer. Royal Society of Chemistry. Chapter 8.

Petrikaite, V. and Matulis, D. 2011. Binding of natural and synthetic inhibitors to human heat shock protein 90 and their clinical application. Medicina (Kaunas), 47:413-420.

Zubriene, A. and Kazlauskas, E. and Baranauskiene, L. and Petrauskas, V. and Matulis, D. 2011. Isothermal titration calorimetry and thermal shift assay in drug design. European pharmaceutical review, 16:56-59.

Toleikis, Z., Cimmperman, P., Petrauskas, V., Matulis, D. 2011. Determination of the volume changes induced by ligand binding to heat shock protein 90 using high-pressure denaturation. Anal Biochem. 413(2):171-178.

Petrikaite, V. and Matulis, D. 2011. Thermodynamics of Natural and Synthetic Inhibitor Binding to Human Hsp90. Knygoje "Application of Thermodynamics to Biological and Materials Science" Redag. Mizutani Tadashi, p. 77-92, ISBN: 978-953-307-980-6.

Rink, C., Sasse, F., Zubrien?, A., Matulis, D., Maier, ME. 2010. Probing the influence of an allylic methyl group in zearalenone analogues on binding to Hsp90. Chemistry. 16(48):14469-14478.

Zubrien?, A., Gutkowska, M., Matulien?, J., Chaleckis, R., Michailovien?, V., Voroncova, A., Venclovas, C., Zylicz, A., Zylicz, M., Matulis, D. 2010. Thermodynamics of radicicol binding to human Hsp90 alpha and beta isoforms. Biophys Chem, 152(1-3):153-163.

?apkauskait?, E., Baranauskien?, L., Golovenko, D., Manakova, E., Gražulis, S., Tumkevi?ius, S., Matulis, D. 2010. Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg Med Chem, 18(21):7357-7364.

S?džius, J., Baranauskien?, L., Golovenko, D., Matulien?, J., Michailovien?, V., Torresan, J., Jachno, J., Sukackait?, R., Manakova, E., Gražulis, S., Tumkevi?ius, S., Matulis, D. 2010. 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII. Bioorg Med Chem, 18(21):7413-7421.

Baranauskien?, L., Hilvo, M., Matulien?, J., Golovenko, D., Manakova, E., Dudutien?, V., Michailovien?, V., Torresan, J., Jachno, J., Parkkila, S., Maresca, A., Supuran, C. T., Gražulis, S., and Matulis, D. 2010. Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulfonamides, J Enz Inhib Med Chem, 25(6):863-870.

Zurawska, A., Urbanski, J., Matulien?, J., Baraniak, J., Klejman, M. P., Filipek, S., Matulis, D., Bieganowski, P. 2010, Mutations that increase both Hsp90 ATPase activity in vitro and Hsp90 drug resistance in vivo. BBA – Molec Cell Res, 1803(5):575-583.
Labanauskas, L., Dudutien?, V., Matulis, D., Urbelis, G. 2009, Synthesis of a new heterocyclic system: 3 phenylbenzimidazo [1,2-c]-[1,2,3]selenadiazole . Chem Heterocycl Comp No. 9, 1435-1436.

Ugele, M., Sasse, F., Knapp, S., Fedorov, O., Zubriene, A., Matulis, D., Maier ME. 2009. Propionate Analogues of Zearalenone Bind to Hsp90. Chembiochem, 10(13):2203-2212. Supp

Baranauskien?, L., Petrikait?, V., Matulien?, J., Matulis, D. 2009. Titration Calorimetry Standards and the Precision of Isothermal Titration Calorimetry Data. Int J Mol Sci, 10:2752-2762.

Zubrien?, A., Matulien?, J., Baranauskien?, L., Jachno, J., Torresan, J., Michailovien?, V., Cimmperman, P., Matulis, D. 2009. Measurement of Nanomolar Dissociation Constants by Titration Calorimetry and Thermal Shift Assay – Radicicol Binding to Hsp90 and Ethoxzolamide Binding to CAII. Int J Mol Sci, 10:2662-2680.

Cikotiene, I., Kazlauskas, E., Matuliene, J., Michailoviene, V.,Torresan, J., Jachno, J., Matulis, D. 2009. 5-Aryl-4-(5-substituted-2,4- dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone. Bioorg Med Chem Lett, 19:1089-1092.

Hilvo, M., Baranauskiene, L., Salzano, A.M., Scaloni, A., Matulis, D., Innocenti, A., Scozzafava, A., Monti, S.M., Di Fiore, A., De Simone, G., Lindfors, M., Jänis, J., Valjakka, J., Pastoreková, S., Pastorek, J., Kulomaa, M.S., Nordlund, H.R., Supuran, C.T., Parkkila, S. 2008 Biochemical characterization of CA IX: one of the most active carbonic anhydrase isozymes J Biol Chem, 283: 27799-27809. [+Suppl.]

Cimmperman, P., Baranauskiene, L., Jachimoviciute, S.,Jachno, J., Torresan, J., Michailoviene, V., Matuliene, J., Sereikaite, J., Bumelis, V., Matulis, D. 2008. A Quantitative Model of Thermal Stabilization and Destabilization of Proteins by Ligands. Biophys J, 95:3222-3231.

Baranauskien?, L., Matulien?, J., Matulis, D. 2008. Determination of the thermodynamics of carbonic anhydrase acid-unfolding by titration calorimetry. J Biochem Biophys Meth, 70:1043–1047.

Zaveckas, M., Žvirblien?, A., Žvirblis, G., Chmieliauskait?, V., Bumelis, V., Pesliakas, H. 2007. Effect of surface histidine mutations and their number on the partitioning and refolding of recombinant human granulocyte-colony stimulating factor (Cys17Ser) in aqueous two-phase systems containing chelated metal ions. J Chromatogr B, 852:409-419.

Dudutien?, V., Baranauskien?, L., Matulis, D. 2007. Benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulfonamides as inhibitors of carbonic anhydrase. Bioorg Med Chem Lett, 17: 3335-3338.

Matulis, D., Kranz, J., Salemme, F.R., and Todd, M.J. 2005. Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor. Biochemistry, 44, 5258-66.

Matulis, D. and Todd, M. 2004. Thermodynamics – structure correlations of sulfonamide inhibitor binding to carbonic anhydrase. In “Biocalorimetry 2“, eds. Ladbury, J.E. and Doyle, M.L. Wiley. 107-132.

Matulis, D., Rouzina, I., and Bloomfield, V. 2002. Thermodynamics of cationic lipid binding to DNA and DNA condensation: Roles of electrostatics and hydrophobicity. J Am Chem Soc, 124, 7331-7342.

Matulis, D., and Bloomfield, V. 2001. Thermodynamics of the hydrophobic effect. I. Coupling of aggregation and pKa shifts in solutions of aliphatic amines. Biophys Chem, 93: 37-51.

Matulis, D., and Bloomfield, V. 2001. Thermodynamics of the hydrophobic effect. II. Calorimetric measurement of enthalpy, entropy, and heat capacity of aggregation of alkylamines and long aliphatic chains. Biophys Chem, 93: 53-65.

Matulis, D. 2001. Thermodynamics of the hydrophobic effect. III. Condensation and aggregation of alkanes, alcohols, and alkylamines. Biophys Chem, 93: 67-82.

Lovrien, R., Wu, C., and Matulis, D. 2000. Ligand - protein coprecipitative isolation by matrix stacking and entanglement. Sep Sci Technol, 35(11): 1795-1811.

Matulis, D., Rouzina, I., and Bloomfield, V. 2000. Thermodynamics of DNA binding and condensation: isothermal titration calorimetry and electrostatic mechanism. J Mol Biol, 296: 1053-1063.

Matulis, D., Baumann, C., Bloomfield, V., and Lovrien, R. 1999. 1-Anilino-8-naphthalene sulfonate as a protein conformational tightening agent. Biopol, 49: 451-458.

Matulis, D., Wu, C., Pham, T., Guy, C., and, Lovrien, R. 1999. Protection of enzymes by aromatic sulfonates from inactivation by acid and elevated temperatures. J Molec Catalysis B: Enzymatic. 7: 21-36.

Matulis, D., and Lovrien, R. 1998. 1-Anilino-8-naphthalene sulfonate anion-protein binding depends primarily on ion pair formation. Biophys J, 74: 422-429.

Wu, C., Lovrien, R., and Matulis, D. 1998. Lectin coprecipitative isolation from crudes by little rock orange ligand. Analyt Biochem, 257: 33-39.

Rubikas, J., and Matulis, D. 1998. Nickel resistance in Escherichia coli V38 isolated from city sewage sludge. Ekologija. 9: 24-28. 3. Rubikas, J., and Matulis, D. 1998. Nickel ion efflux is the main mechanism of resistance in Escherichia coli V38. Ekologija, 9: 29-32.

Matulis, D., Lovrien, R. 1997. Selective Precipitation of Proteins. Curr Prot Prot Sc: 4.5.1-4.5.36.

Rubikas, J., Matulis, D., Leipus, A., and Urbaitien?, D. 1997. Nickel resistance in Escherichia Coli V38 is dependent on the concentration used for induction. FEMS Microbiol Lett, 155: 193-198.

Matulis, D., Richardson, T., and Lovrien, R. 1996. Coprecipitation of proteins with matrix ligands: scaleable protein isolation. J Molec Recogn, 9: 433-443.

Matulis, D., Lovrien, R. 1995. Assays for Total Protein. Curr Prot Prot Sc: 3.4.1-3.4.4.


Petrikaite, V., Kazlauskas, E., Matuliene, J., Matulis, D. 2011. Development of Hsp90 inhibitors as anticancer compounds. F1000 Posters.


Andrius Bacevi?ius, Leonas Kaletinas, Daumantas Matulis. Clinical Trials in Lithuania - An Attractive Option for Study Placement. 2012

Chris Tachibana. Brain drain or brain gain? Medicon Valley 2009/12

Daumantas Matulis. Looking for additional collaborations. EFPIA 2008/6

Leonas Grinius, Daumantas Matulis, Saulius Serva, Dalius Misi?nas, Ram?nas Valiokas. Perspectives for Safe use and Application of Modern Biotechnology in Lithuania. Vilnius, 2007 [LT] [EN]

Ray Vyšniauskas. Bring our boys home. Lithuania today 2007/10-11