Publikacijos

ORCID: 0000-0001-7983-4128
Atnaujinta: 2026 m. spalio 12 d.

  1. [1]L. Stančaitis, M. Liberis, L. Baranauskienė, V. Paketurytė-Latvė, A. Kvietkauskaitė, V. Petrauskas, E. Manakova, A. Smirnov, A. Mickevičiūtė, V. Juozapaitienė, M. Gedgaudas, T. Kojis, J. Matulienė, S. Gražulis, E. Čapkauskaitė, D. Matulis. Structure-Affinity and Selectivity of Aryl-Sulfamates as Inhibitors of Carbonic Anhydrase IX. Journal of Medicinal Chemistry (2026). doi: 10.1021/acs.jmedchem.6c02393.
  2. [2]A. Petrosiute, A. Zakšauskas, A. Lučiūnaitė, V. Petrauskas, L. Baranauskienė, A. Kvietkauskaitė, A. Ščerbavičienė, M. Tamošiūnaitė, J. Musvicaitė, A. Jankūnaitė, G. Žvinys, L. Stančaitis, E. Čapkauskaitė, A. Mickevičiūtė, V. Juozapaitienė, V. Dudutienė, A. Zubrienė, Š. Grincevičienė, V. Bukelskienė, H. B. Schiöth, J. Matulienė, D. Matulis. Carbonic Anhydrase IX Inhibition as a Path to Treat Neuroblastoma. British Journal of Pharmacology 182 (2025), 1610–1629. doi: 10.1111/bph.17429.
  3. [3]V. Kairys, L. Baranauskiene, M. Kazlauskiene, A. Zubrienė, V. Petrauskas, D. Matulis, E. Kazlauskas. Recent Advances in Computational and Experimental Protein-Ligand Affinity Determination Techniques. Expert Opinion on Drug Discovery 19 (2024), 649–670. doi: 10.1080/17460441.2024.2349169.PMID: 38715415.
  4. [4]V. Paketurytė-Latvė, A. Smirnov, E. Manakova, L. Baranauskiene, V. Petrauskas, A. Zubrienė, J. Matulienė, V. Dudutienė, E. Čapkauskaitė, A. Zakšauskas, J. Leitans, S. Gražulis, K. Tars, D. Matulis. From X-Ray Crystallographic Structure to Intrinsic Thermodynamics of Protein–Ligand Binding Using Carbonic Anhydrase Isozymes as a Model System. IUCrJ 11 (2024), 556–569. doi: 10.1107/S2052252524004627.
  5. [5]V. Petrauskas, E. Kazlauskas, M. Gedgaudas, L. Baranauskienė, A. Zubrienė, D. Matulis. Thermal Shift Assay for Protein–Ligand Dissociation Constant Determination. TrAC Trends in Analytical Chemistry 170 (2024), 117417. doi: 10.1016/j.trac.2023.117417.
  6. [6]D. Lingė, M. Gedgaudas, A. Merkys, V. Petrauskas, A. Vaitkus, A. Grybauskas, V. Paketurytė, A. Zubrienė, A. Zakšauskas, A. Mickevičiūtė, J. Smirnovienė, L. Baranauskienė, E. Čapkauskaitė, V. Dudutienė, E. Urniežius, A. Konovalovas, E. Kazlauskas, K. Shubin, H. B. Schiöth, W.-Y. Chen, J. E. Ladbury, S. Gražulis, D. Matulis. PLBD: Protein–Ligand Binding Database of Thermodynamic and Kinetic Intrinsic Parameters. Database 2023 (2023), baad040. doi: 10.1093/database/baad040.
  7. [7]J. Preikša, V. Petrikaitė, V. Petrauskas, D. Matulis. Intrinsic Solubility of Ionizable Compounds from pKa Shift. ACS Omega 8 (2023), 44571–44577. doi: 10.1021/acsomega.3c04071.
  8. [8]M. Gedgaudas, D. Baronas, E. Kazlauskas, V. Petrauskas, D. Matulis. Thermott: A Comprehensive Online Tool for Protein–Ligand Binding Constant Determination. Drug Discovery Today 27 (2022), 2076–2079. doi: 10.1016/j.drudis.2022.05.008.
  9. [9]Š. Grincevičienė, D. Vaitkienė, D. Kanopienė, R. Vansevičiūtė, J. Tykvart, A. Sukovas, J. Celiešiūtė, E. Ivanauskaitė Didžiokienė, A. Čižauskas, A. Laurinavičienė, V. Kr´ al, A. Hlavačkov´ a, J. Zemanov´ a, D. Stravinskienė, A. Sližienė, A. Petrošiūtė, V. Petrauskas, R. Balsytė, J. Grincevičius, V. Navratil, U. Jahn, J. Konvalinka, A. Žvirblienė, D. Matulis, J. Matulienė. Factors, Associated with Elevated Concentration of Soluble Carbonic Anhydrase IX in Plasma of Women with Cervical Dysplasia. Scientific Reports 12 (2022), 15397. doi: 10.1038/s41598-022-19492-y.
  10. [10]J. Matulienė, G. Žvinys, V. Petrauskas, A. Kvietkauskaitė, A. Zakšauskas, K. Shubin, A. Zubrienė, L. Baranauskienė, L. Kačenauskaitė, S. Kopanchuk, S. Veiksina, V. Paketurytė- Latvė, J. Smirnovienė, V. Juozapaitienė, A. Mickevičiūtė, V. Michailovienė, J. Jachno, D. Stravinskienė, A. Sližienė, A. Petrošiūtė, H. M. Becker, J. Kazokaitė-Adomaitienė, A. Yaromina, E. Čapkauskaitė, A. Rinken, V. Dudutienė, L. J. Dubois, D. Matulis. Picomolar Fluorescent Probes for Compound Affinity Determination to Carbonic Anhydrase IX Expressed in Live Cancer Cells. Scientific Reports 12 (2022), 17644. doi: 10.1038/s41598-022-22436-1.
  11. [11]G. Skvarnavičius, Z. Toleikis, D. Matulis, V. Petrauskas. Denaturant- or Ligand-Induced Changes in Protein Volume by Pressure Shift Assay. Physical Chemistry Chemical Physics 24 (2022), 17279–17288. doi: 10.1039/D2CP01046A.
  12. [12]Z. Toleikis, R. Bobrovs, A. Janoniene, A. Lends, M. Ziaunys, I. Baronaite, V. Petrauskas, K. Kitoka, V. Smirnovas, K. Jaudzems. Interactions between S100A9 and Alpha-Synuclein: Insight from NMR Spectroscopy. International Journal of Molecular Sciences 23 (2022), 6781. doi: 10.3390/ijms23126781.
  13. [13]L. Baranauskiene, L. Škiudaitė, V. Michailovienė, V. Petrauskas, D. Matulis. Thiazide and Other Cl-Benzenesulfonamide-Bearing Clinical Drug Affinities for Human Carbonic Anhydrases. PLoS ONE 16 (2021), e0253608. doi: 10.1371/journal.pone.0253608.
  14. [14]L. W. DeLeeuw, R. C. Monsen, V. Petrauskas, R. D. Gray, L. Baranauskiene, D. Matulis, J. O. Trent, J. B. Chaires. POT1 Stability and Binding Measured by Fluorescence Thermal Shift Assays. PLoS One 16 (2021), e0245675. doi: 10.1371/journal.pone.0245675.
  15. [15]A. Gulla, E. Kazlauskas, H. Liang, K. Strupas, V. Petrauskas, D. Matulis, J. R. Eshleman. Heat Shock Protein 90 Inhibitor Effects on Pancreatic Cancer Cell Cultures. Pancreas 50 (2021), 625–632. doi: 10.1097/mpa.0000000000001807.PMID: 33939678.
  16. [16]E. Kazlauskas, V. Petrauskas, V. Paketurytė, D. Matulis. Standard Operating Procedure for Fluorescent Thermal Shift Assay (FTSA) for Determination of Protein–Ligand Binding and Protein Stability. European Biophysics Journal 50 (2021), 373–379. doi: 10.1007/s00249-021-01537-1.
  17. [17]V. Paketurytė, V. Petrauskas, A. Zubrienė, O. Abian, M. Bastos, W.-Y. Chen, M. J. Moreno, G. Krainer, V. Linkuvienė, A. Sedivy, A. Velazquez-Campoy, M. A. Williams, D. Matulis. Uncertainty in Protein–Ligand Binding Constants: Asymmetric Confidence Intervals versus Standard Errors. European Biophysics Journal 50 (2021), 661–670. doi: 10.1007/s00249-021-01518-4.
  18. [18]G. Skvarnavičius, Z. Toleikis, V. Michailovienė, C. Roumestand, D. Matulis, V. Petrauskas. Protein–Ligand Binding Volume Determined from a Single 2D NMR Spectrum with Increasing Pressure. The Journal of Physical Chemistry B 125 (2021), 5823–5831. doi: 10.1021/acs.jpcb.1c02917.
  19. [19]J. Smirnovienė, A. Smirnov, A. Zakšauskas, A. Zubrienė, V. Petrauskas, A. Mickevičiūtė, V. Michailovienė, E. Čapkauskaitė, E. Manakova, S. Gražulis, L. Baranauskienė, W.-Y. Chen, J. E. Ladbury, D. Matulis. Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. ChemistryOpen 10 (2021), 567–580. doi: 10.1002/open.202100042.
  20. [20]Z. Toleikis, M. Ziaunys, L. Baranauskiene, V. Petrauskas, K. Jaudzems, V. Smirnovas. S100A9 Alters the Pathway of Alpha-Synuclein Amyloid Aggregation. International Journal of Molecular Sciences 22 (2021), 7972. doi: 10.3390/ijms22157972.
  21. [21]V. Petrauskas, A. Zubrienė, M. J. Todd, D. Matulis. Inhibitor Binding to Carbonic Anhydrases by Fluorescent Thermal Shift Assay. Carbonic Anhydrase as Drug Target: Thermodynamics and Structure of Inhibitor Binding. Ed. by D. Matulis. Cham: Springer International Publishing, 2019, 63–78. doi: 10.1007/978-3-030-12780-0_5.
  22. [22]G. Skvarnavičius, D. Dvareckas, D. Matulis, V. Petrauskas. Thermodynamics of Interactions Between Charged Surfactants and Ionic Poly(Amino Acids) by Isothermal Titration Calorimetry. ACS Omega 4 (2019), 17527–17535. doi: 10.1021/acsomega.9b02425.
  23. [23]G. Skvarnavičius, D. Matulis, V. Petrauskas. Change in Volume Upon Inhibitor Binding to Carbonic Anhydrases by Fluorescent Pressure Shift Assay. Carbonic Anhydrase as Drug Target: Thermodynamics and Structure of Inhibitor Binding. Ed. by D. Matulis. Cham: Springer International Publishing, 2019, 97–106. doi: 10.1007/978-3-030-12780-0_7.
  24. [24]V. Linkuvienė, A. Zubrienė, E. Manakova, V. Petrauskas, L. Baranauskienė, A. Zakšauskas, A. Smirnov, S. Gražulis, J. E. Ladbury, D. Matulis. Thermodynamic, Kinetic, and Structural Parameterization of Human Carbonic Anhydrase Interactions toward Enhanced Inhibitor Design. Quarterly Reviews of Biophysics 51 (2018), 1–48. doi: 10.1017/S0033583518000082.
  25. [25]G. Skvarnavičius, Z. Toleikis, M. Grigaliūnas, J. Smirnovienė, P. Norvaišas, P. Cimmperman, D. Matulis, V. Petrauskas. High Pressure Spectrofluorimetry – a Tool to Determine Protein-Ligand Binding Volume. Journal of Physics: Conference Series 950 (2017), 042001. doi: 10.1088/1742-6596/950/4/042001.
  26. [26]V. Petrauskas, L. Baranauskienė, A. Zubrienė, D. Matulis. Isothermal Titration Calorimetry and Fluorescent Thermal and Pressure Shift Assays in Protein-Ligand Interactions. Biocalorimetry. 0 vols. CRC Press, 2016, 261–280. url: http://dx.doi.org/10.1201/b20161-18 (visited on 05/18/2016).
  27. [27]Z. Toleikis, V. A. Sirotkin, G. Skvarnavičius, J. Smirnovienė, C. Roumestand, D. Matulis, V. Petrauskas. Volume of Hsp90 Protein–Ligand Binding Determined by Fluorescent Pressure Shift Assay, Densitometry, and NMR. The Journal of Physical Chemistry B 120 (2016), 9903–9912. doi: 10.1021/acs.jpcb.6b06863.
  28. [28]V. Petrauskas, E. Maximowitsch, D. Matulis. Thermodynamics of Ion Pair Formations Between Charged Poly(Amino Acid)s. The Journal of Physical Chemistry B 119 (2015), 12164–12171. doi: 10.1021/acs.jpcb.5b05767.
  29. [29]M. Redhead, R. Satchell, V. Morkūnaitė, D. Swift, V. Petrauskas, E. Golding, S. Onions, D. Matulis, J. Unitt. A Combinatorial Biophysical Approach; Ftsa and Spr for Identifying Small Molecule Ligands and Pains. Analytical Biochemistry 479 (2015), 63–73. doi: 10.1016/j.ab.2015.03.013.
  30. [30]V. Dudutienė, J. Matulienė, A. Smirnov, D. D. Timm, A. Zubrienė, L. Baranauskienė, V. Morkūnaitė, J. Smirnovienė, V. Michailovienė, V. Juozapaitienė, A. Mickevičiūtė, J. Kazokaitė, S. Bakšytė, A. Kasiliauskaitė, J. Jachno, J. Revuckienė, M. Kišonaitė, V. Pilipuitytė, E. Ivanauskaitė, G. Milinavičiūtė, V. Smirnovas, V. Petrikaitė, V. Kairys, V. Petrauskas, P. Norvaišas, D. Lingė, P. Gibieža, E. Čapkauskaitė, A. Zakšauskas, E. Kazlauskas, E. Manakova, S. Gražulis, J. E. Ladbury, D. Matulis. Discovery and Characterization of Novel Selective Inhibitors of Carbonic Anhydrase IX. Journal of Medicinal Chemistry 57 (2014), 9435–9446. doi: 10.1021/jm501003k.
  31. [31]V. Petrauskas, J. Gylytė, Z. Toleikis, P. Cimmperman, D. Matulis. Volume of Hsp90 Ligand Binding and the Unfolding Phase Diagram as a Function of Pressure and Temperature. European Biophysics Journal 42 (2013), 355–362. doi: 10.1007/s00249-012-0884-7.
  32. [32]P. Norvaišas, V. Petrauskas, D. Matulis. Thermodynamics of Cationic and Anionic Surfactant Interaction. The Journal of Physical Chemistry B 116 (2012), 2138–2144. doi: 10.1021/jp2095888.
  33. [33]Z. Toleikis, P. Cimmperman, V. Petrauskas, D. Matulis. Serum Albumin Ligand Binding Volumes Using High Pressure Denaturation. The Journal of Chemical Thermodynamics 52 (2012), 24–29. doi: 10.1016/j.jct.2011.12.026.
  34. [34]Z. Toleikis, P. Cimmperman, V. Petrauskas, D. Matulis. Determination of the Volume Changes Induced by Ligand Binding to Heat Shock Protein 90 Using High-Pressure Denaturation. Analytical Biochemistry 413 (2011), 171–178. doi: 10.1016/j.ab.2011.02.019.
  35. [35]A. Zubrienė, E. Kazlauskas, L. Baranauskienė, V. Petrauskas, D. Matulis. Isothermal Titration Calorimetry and Thermal Shift Assay in Drug Design. European Pharmaceutical Review 16 (2011), 56–59. url: https://www.europeanpharmaceuticalreview.com/article/7622/isothermal-titration-calorimetry-and-thermal-shift-assay-in-drug-design/.
  36. [36]V. Petrauskas, E. Tornau. Formation of Stripe Structure Without Longer Range Interactions. Physical Review B 82 (2010), 115433. doi: 10.1103/PhysRevB.82.115433.
  37. [37]E. Tornau, V. Petrauskas, A. Joknys. Ising Model with Long Range Interactions: Phase Diagram and Transition Order of Stripe Structures. Ferroelectrics 379 (2009), 128–135. doi: 10.1080/00150190902851911.
  38. [38]E. Tornau, V. Petrauskas, G. Zvejnieks. Simulation of Oxidized Silicon Stripe Formation on Pd(111). Physica Status Solidi (C) 6 (2009), 2731–2733. doi: 10.1002/pssc.200982523.
  39. [39]V. Petrauskas, E. Tornau. Model for Hydrogen-Induced Sb Atoms Reconstruction √3 × √3 → 2 × 1 on Si(111). Journal of Physics: Conference Series 100 (2008), 072037. doi: 10.1088/1742-6596/100/7/072037.
  40. [40]V. Petrauskas, E. Tornau. Modeling of Phase Transitions and Reaction Between Coadsorbed Oxygen and Hydrogen on Pd(111). Journal of Physics: Conference Series 100 (2008), 072038. doi: 10.1088/1742-6596/100/7/072038.
  41. [41]V. Petrauskas, E. Tornau. Simulation of Hydrogen-Induced Reconstruction of Oxygen on Pd(111). Acta Physica Polonica A 113 (2008), 1075–1078. doi: 10.12693/APhysPolA.113.1075.
  42. [42]V. Petrauskas, E. Tornau. Hydrogen-Induced Sb Atom Reconstruction √3 ×√3 → 2 × 1 on Si(111) as an Example of a Six-State Model. Physical Review B 75 (2007), 113308. doi: 10.1103/PhysRevB.75.113308.
  43. [43]S. Balevičius, P. Cimmperman, V. Petrauskas, V. Stankevič, E. Tornau, N. Žurauskienė, A. Abrutis, V. Plaušinaitienė, M. Sawicki, T. Dietl, M. Aleszkiewicz. Two-Phase Structure of Ultra-Thin La-Sr-MnO Films. Thin Solid Films 515 (2006), 691–694. doi: 10.1016/j.tsf.2005.12.240.
  44. [44]V. Petrauskas, E. Tornau. Modelling of Grain Boundary Resistance in Thin Films of Lanthanum Manganites. Lithuanian Journal of Physics 46 (2006), 191–198. doi: 10.3952/lithjphys.46204.
  45. [45]E. Tornau, V. Petrauskas, G. Zvejnieks. Surface Phase Transitions at O and CO Catalytic Reaction on Pd(111). Catalysis Today 116 (2006), 62–68. doi: 10.1016/j.cattod.2006.02.081.
  46. [46]G. Zvejnieks, V. Kuzovkov, V. Petrauskas, E. Tornau. Modelling of Phase Transitions and Reaction at CO Adsorption on Oxygen Precovered Pd(111). Applied Surface Science 252 (2006), 5395–5398. doi: 10.1016/j.apsusc.2005.12.048.
  47. [47]V. Petrauskas, E. Tornau, S. Lapinskas. Modelling of Subpc Self-Assembly on Ag(111). Acta Physica Polonica A 107 (2005), 388–391. doi: 10.12693/APhysPolA.107.388.
  48. [48]E. Tornau, V. Petrauskas, O. Crisan. Effect of Surface Anisotropy in Core-Shell Bimetallic Nanoparticles. Acta Physica Polonica A 107 (2005), 425–428. doi: 10.12693/APhysPolA.107.425.
  49. [49]O. Crisan, E. Tornau, V. Petrauskas, M. Angelakeris. Monte Carlo Simulation Study of Magnetic Behaviour of Core-Shell Bimetallic Nanoparticles. Physica Status Solidi (C) 1 (2004), 3760–3763. doi: 10.1002/pssc.200405549.
  50. [50]V. Petrauskas, S. Lapinskas, E. Tornau. Phase Diagram of Subphtalocyanine Ordering on Ag(111). The Journal of Chemical Physics 120 (2004), 11815. doi: 10.1063/1.1755670.
  51. [51]B. Vengalis, V. Lisauskas, K. Šliužienė, V. Petrauskas, S. Dijken, M. Bari, M. Venkatesan, J. Coey. Growth and Investigation of Oxide Heterostructures Containing Half-Metallic Fe3O4. Solid State Phenomena 99–100 (2004), 133–136. doi: 10.4028/www.scientific.net/SSP.99-100.133.
  52. [52]V. Petrauskas, E. Tornau. Magnetization of Spin-Frustrated Ferromagnetic / Antiferromagnetic Superlattices. Lithuanian Journal of Physics 42 (2002), 427–433.