Synthesis and histone deacetylases inhibitory activity of pyrimidine‐based 1,3,4‐oxadiazoles von Jakubkiene, V., Labalaukyte, I., Schweipert, M., Zubriene, A., Meyer‐Almes, F.‐J., Matulis, D., Tumkevicius, S.

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Protein–Ligand Binding Database (PLBD) of crystal structures and intrinsic thermodynamic parameters von Lingė, D., Gedgaudas, M., Merkys, A., Petrauskas, V., Vaitkus, A., Grybauskas, A., Paketurytė, V., Zubrienė, A., Zakšauskas, A., Mickevičiūtė, A., Smirnovienė, J., Baranauskienė, L., Čapkauskaitė, E., Dudutienė, V., Urniežius, E., Konovalovas, A., Kazlauskas, E., Shubin, K., Schiöth, H. B., Chen, W.-Y., Ladbury, J. E., Gražulis, S., Matulis, D.

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PLBD: protein–ligand binding database of thermodynamic and kinetic intrinsic parameters von Lingė, D, Gedgaudas, M, Merkys, A, Petrauskas, V, Vaitkus, A, Grybauskas, A, Paketurytė, V, Zubrienė, A, Zakšauskas, A, Mickevičiūtė, A, Smirnovienė, J, Baranauskienė, L, Čapkauskaitė, E, Dudutienė, V, Urniežius, E, Konovalovas, A, Kazlauskas, E, Shubin, K, Schiöth, HB, Chen, W-Y, Ladbury, JE, Gražulis, S, Matulis, D

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Discovery and validation of SIRT2 inhibitors based on tenovin-6: use of a ¹H-NMR method to assess deacetylase activity von Pirrie, Lisa, McCarthy, Anna R, Major, Louise L, Morkūnaitė, Vaida, Zubrienė, Asta, Matulis, Daumantas, Lain, Sonia, Lebl, Tomas, Westwood, Nicholas J

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Switching the Inhibitor‐Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII von Smirnovienė, J, Smirnov, A, Zakšauskas, A, Zubrienė, A, Petrauskas, V, Mickevičiūtė, A, Michailovienė, V, Čapkauskaitė, E, Manakova, E, Gražulis, S, Baranauskienė, L, Chen, W, Ladbury, JE, Matulis, D

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Intrinsic Thermodynamics of Protein-Ligand Binding by Isothermal Titration Calorimetry as Aid to Drug Design von Paketurytė, V, Zubrienė, A, Ladbury, JE, Matulis, D

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Discovery and Validation of SIRT2 Inhibitors Based on Tenovin-6: Use of a 1 H-NMR Method to Assess Deacetylase Activity von Pirrie, L, McCarthy, AR, Major, LL, Morkunaite, V, Zubriene, A, Matulis, D, Lain, S, Lebl, T, Westwood, NJ

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β-Galactosidase from Penicillium canescens. Properties and immobilization von Budriene, Saulute, Gorochovceva, Natalija, Romaskevic, Tatjana, Yugova, Lyubov, Miezeliene, Aldona, Dienys, Gervydas, Zubriene, Asta

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Immobilized Alkaline Phosphatase for Molecular Cloning von Zubriene, Asta, Budriene, Saulute, Lubiene, Judita, Dienys, Gervydas

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Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design von Linkuviene, V, Zubriene, A, Manakova, E, Petrauskas, V, Baranauskiene, L, Zaksauskas, A, Smirnov, A, Grazulis, S, Ladbury, JE, Matulis, D

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Thermal shift assay for protein–ligand dissociation constant determination von Petrauskas, Vytautas, Kazlauskas, Egidijus, Gedgaudas, Marius, Baranauskienė, Lina, Zubrienė, Asta, Matulis, Daumantas

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Intrinsic affinity of protein – ligand binding by differential scanning calorimetry von Linkuvienė, Vaida, Zubrienė, Asta, Matulis, Daumantas

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New Class of Hsp90 C‑Terminal Domain Inhibitors with Anti-tumor Properties against Triple-Negative Breast Cancer von Zajec, Živa, Dernovšek, Jaka, Cingl, Jernej, Ogris, Iza, Gedgaudas, Marius, Zubrienė, Asta, Mitrović, Ana, Golič Grdadolnik, Simona, Gobec, Martina, Tomašič, Tihomir

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Uncertainty in protein–ligand binding constants: asymmetric confidence intervals versus standard errors von Paketurytė, Vaida, Petrauskas, Vytautas, Zubrienė, Asta, Abian, Olga, Bastos, Margarida, Chen, Wen-Yih, Moreno, Maria João, Krainer, Georg, Linkuvienė, Vaida, Sedivy, Arthur, Velazquez-Campoy, Adrian, Williams, Mark A., Matulis, Daumantas

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High-Affinity NIR-Fluorescent Inhibitors for Tumor Imaging via Carbonic Anhydrase IX von Žvinys, Gediminas, Petrosiute, Agne, Zakšauskas, Audrius, Zubrienė, Asta, Ščerbavičienė, Alvilė, Kalnina, Zane, Čapkauskaitė, Edita, Juozapaitienė, Vaida, Mickevičiu̅tė, Aurelija, Shubin, Kirill, Grincevičienė, Švitrigailė, Raišys, Steponas, Tars, Kaspars, Matulienė, Jurgita, Matulis, Daumantas

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A standard operating procedure for an enzymatic activity inhibition assay von Smirnovienė, Joana, Baranauskienė, Lina, Zubrienė, Asta, Matulis, Daumantas

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Synthesis and structure–affinity relationship of chlorinated pyrrolidinone-bearing benzenesulfonamides as human carbonic anhydrase inhibitors von Balandis, Benas, Ivanauskaitė, Guostė, Smirnovienė, Joana, Kantminienė, Kristina, Matulis, Daumantas, Mickevičius, Vytautas, Zubrienė, Asta

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Screening, Synthesis and Biochemical Characterization of SARS-CoV-2 Protease Inhibitors von Bagdonas, Martynas, Čerepenkaitė, Kamilė, Mickevičiūtė, Aurelija, Kananavičiūtė, Rūta, Grybaitė, Birutė, Anusevičius, Kazimieras, Rukšėnaitė, Audronė, Kojis, Tautvydas, Gedgaudas, Marius, Mickevičius, Vytautas, Matulis, Daumantas, Zubrienė, Asta, Matulienė, Jurgita

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Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases von Baronas, Denis, Dudutienė, Virginija, Paketurytė, Vaida, Kairys, Visvaldas, Smirnov, Alexey, Juozapaitienė, Vaida, Vaškevičius, Aivaras, Manakova, Elena, Gražulis, Saulius, Zubrienė, Asta, Matulis, Daumantas

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Picomolar fluorescent probes for compound affinity determination to carbonic anhydrase IX expressed in live cancer cells von Matulienė, Jurgita, Žvinys, Gediminas, Petrauskas, Vytautas, Kvietkauskaitė, Agnė, Zakšauskas, Audrius, Shubin, Kirill, Zubrienė, Asta, Baranauskienė, Lina, Kačenauskaitė, Lina, Kopanchuk, Sergei, Veiksina, Santa, Paketurytė-Latvė, Vaida, Smirnovienė, Joana, Juozapaitienė, Vaida, Mickevičiūtė, Aurelija, Michailovienė, Vilma, Jachno, Jelena, Stravinskienė, Dovilė, Sližienė, Aistė, Petrošiūtė, Agnė, Becker, Holger M., Kazokaitė-Adomaitienė, Justina, Yaromina, Ala, Čapkauskaitė, Edita, Rinken, Ago, Dudutienė, Virginija, Dubois, Ludwig J, Matulis, Daumantas

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