Works by Gražulis, Saulius
Results: 35
Light‐Responsive Oligothiophenes Incorporating Photochromic Torsional Switches.
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- Chemistry - A European Journal, 2022, v. 28, n. 65, p. 1, doi. 10.1002/chem.202202698
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- Article
Cover Feature: Light‐Responsive Oligothiophenes Incorporating Photochromic Torsional Switches (Chem. Eur. J. 65/2022).
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- Chemistry - A European Journal, 2022, v. 28, n. 65, p. 1, doi. 10.1002/chem.202203415
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- Article
Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
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- PeerJ, 2018, p. 1, doi. 10.7717/peerj.4412
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- Article
Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides.
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- Journal of Enzyme Inhibition & Medicinal Chemistry, 2010, v. 25, n. 6, p. 863, doi. 10.3109/14756360903571685
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Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
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- ChemistryOpen, 2021, v. 10, n. 5, p. 567, doi. 10.1002/open.202100042
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Building protein structure-specific rotamer libraries.
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- Bioinformatics, 2023, v. 39, n. 7, p. 1, doi. 10.1093/bioinformatics/btad429
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Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design.
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- Quarterly Reviews of Biophysics, 2018, v. 51, p. 1, doi. 10.1017/S0033583518000082
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Proving the correctness of the algorithm for building a crystallographic space group.
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- Journal of Applied Crystallography, 2022, v. 55, n. 3, p. 515, doi. 10.1107/S1600576722003107
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Validation of the Crystallography Open Database using the Crystallographic Information Framework.
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- Journal of Applied Crystallography, 2021, v. 54, n. 2, p. 661, doi. 10.1107/S1600576720016532
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Raman Open Database: first interconnected Raman–X‐ray diffraction open‐access resource for material identification.
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- Journal of Applied Crystallography, 2019, v. 52, n. 3, p. 618, doi. 10.1107/S1600576719004229
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COD::CIF::Parser: an error-correcting CIF parser for the Perl language.
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- Journal of Applied Crystallography, 2016, v. 49, n. 1, p. 292, doi. 10.1107/S1600576715022396
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- Article
Specification of the Crystallographic Information File format, version 2.0.
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- Journal of Applied Crystallography, 2016, v. 49, n. 1, p. 277, doi. 10.1107/S1600576715021871
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Crystallographic education in the 21st century.
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- Journal of Applied Crystallography, 2015, v. 48, n. 6, p. 1964, doi. 10.1107/S1600576715016830
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Computing stoichiometric molecular composition from crystal structures.
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- Journal of Applied Crystallography, 2015, v. 48, n. 1, p. 85, doi. 10.1107/S1600576714025904
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Crystallography Open Database -- an open-access collection of crystal structures.
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- Journal of Applied Crystallography, 2009, v. 42, n. 4, p. 726
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Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII.
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- PLoS ONE, 2014, v. 9, n. 12, p. 1, doi. 10.1371/journal.pone.0114106
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Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
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- European Biophysics Journal, 2021, v. 50, n. 7, p. 993, doi. 10.1007/s00249-021-01561-1
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Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
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- European Biophysics Journal, 2018, v. 47, n. 3, p. 271, doi. 10.1007/s00249-017-1256-0
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AceDRG: a stereochemical description generator for ligands.
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- Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 2, p. 112, doi. 10.1107/S2059798317000067
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Validation and extraction of molecular-geometry information from small-molecule databases.
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- Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 2, p. 103, doi. 10.1107/S2059798317000079
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Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0279-6
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A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD.
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- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0242-y
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Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
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- ChemMedChem, 2017, v. 12, n. 2, p. 161, doi. 10.1002/cmdc.201600509
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Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases.
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- ChemMedChem, 2015, v. 10, n. 4, p. 662, doi. 10.1002/cmdc.201402490
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- Article
Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 1, p. 130, doi. 10.3390/ijms23010130
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- Article
4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
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- Molecules, 2014, v. 19, n. 11, p. 17356, doi. 10.3390/molecules191117356
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Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 4, p. N.PAG, doi. 10.3390/ph15040477
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OPTIMADE, an API for exchanging materials data.
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- Scientific Data, 2021, v. 8, n. 1, p. 1, doi. 10.1038/s41597-021-00974-z
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Targeted anticancer pre-vinylsulfone covalent inhibitors of carbonic anhydrase IX.
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- eLife, 2024, p. 1, doi. 10.7554/eLife.101401
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Structural insight into the specificity of the B3 DNA-binding domains provided by the co-crystal structure of the C-terminal fragment of BfiI restriction enzyme.
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- Nucleic Acids Research, 2014, v. 42, n. 6, p. 4113, doi. 10.1093/nar/gkt1368
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- Article
Structural mechanisms of the degenerate sequence recognition by Bse634I restriction endonuclease.
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- Nucleic Acids Research, 2012, v. 40, n. 14, p. 6741, doi. 10.1093/nar/gks300
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Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration.
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- Nucleic Acids Research, 2012, p. D420
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Structural basis for sequence-specific recognition of guide and target strands by the Archaeoglobus fulgidus Argonaute protein.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-32600-w
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- Article
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00780-2
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Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00692-1
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- Article