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Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur Biophys J. 2018 Apr;47(3):271-290. doi: 10.1007/s00249-017-1256-0. Epub 2017 Oct 3.
Eur Biophys J. 2018.
PMID: 28975383
Free PMC article.
Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors.
Čapkauskaitė E, Zakšauskas A, Ruibys V, Linkuvienė V, Paketurytė V, Gedgaudas M, Kairys V, Matulis D.
Čapkauskaitė E, et al. Among authors: gedgaudas m.
Bioorg Med Chem. 2018 Feb 1;26(3):675-687. doi: 10.1016/j.bmc.2017.12.035. Epub 2017 Dec 24.
Bioorg Med Chem. 2018.
PMID: 29305297
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Thermott: A comprehensive online tool for protein-ligand binding constant determination.
Gedgaudas M, Baronas D, Kazlauskas E, Petrauskas V, Matulis D.
Gedgaudas M, et al.
Drug Discov Today. 2022 Aug;27(8):2076-2079. doi: 10.1016/j.drudis.2022.05.008. Epub 2022 May 14.
Drug Discov Today. 2022.
PMID: 35577233
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PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parameters.
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 WY, Ladbury JE, Gražulis S, Matulis D.
Lingė D, et al. Among authors: gedgaudas m.
Database (Oxford). 2023 Jun 8;2023:baad040. doi: 10.1093/database/baad040.
Database (Oxford). 2023.
PMID: 37290059
Free PMC article.
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Screening, Synthesis and Biochemical Characterization of SARS-CoV-2 Protease Inhibitors.
Bagdonas M, Čerepenkaitė K, Mickevičiūtė A, Kananavičiūtė R, Grybaitė B, Anusevičius K, Rukšėnaitė A, Kojis T, Gedgaudas M, Mickevičius V, Matulis D, Zubrienė A, Matulienė J.
Bagdonas M, et al. Among authors: gedgaudas m.
Int J Mol Sci. 2023 Aug 30;24(17):13491. doi: 10.3390/ijms241713491.
Int J Mol Sci. 2023.
PMID: 37686295
Free PMC article.
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