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DatasetResearch data for publication: Halogenated N-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding
Apr 10, 2026

Rincon Daza, David; Zaorska, Ewelina; Malińska, Maura, 2026, "Research data for publication: Halogenated N-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding", https://doi.org/10.58132/AQQHCL, Dane Badawcze UW, V2

DatasetResearch data for publication: Conformational preferences and benchmarking of computational methods for piperazine-based ligands
Apr 10, 2026

Rincon Daza, David; Zaorska, Ewelina; Malińska, Maura, 2026, "Research data for publication: Conformational preferences and benchmarking of computational methods for piperazine-based ligands", https://doi.org/10.58132/CHHG2P, Dane Badawcze UW, V2

DatasetCartesian coordinates of crystal-derived and optimized dimers and trimers from cucurbituril–antidepressant crystal structures
Mar 24, 2026

Malińska, Maura, 2026, "Cartesian coordinates of crystal-derived and optimized dimers and trimers from cucurbituril–antidepressant crystal structures", https://doi.org/10.58132/6WVVDN, Dane Badawcze UW, V1

DatasetSupporting crystallographic CIF files for: Protein recognition and assembly by a phosphocavitand
Mar 9, 2026

Malińska, Maura, 2026, "Supporting crystallographic CIF files for: Protein recognition and assembly by a phosphocavitand", https://doi.org/10.58132/5KTXUL, Dane Badawcze UW, V1

DatasetSupporting crystallographic CIF files for: DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures
Mar 9, 2026

Malińska, Maura, 2026, "Supporting crystallographic CIF files for: DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures", https://doi.org/10.58132/RE83KS, Dane Badawcze UW, V1

DatasetResearch data for publication: Preferential crystallization of tert-Butyl-calix[6]arene chlorobenzene solvate from a solvent mixture
Apr 1, 2025

Malińska, Maura, 2025, "Research data for publication: Preferential crystallization of tert-Butyl-calix[6]arene chlorobenzene solvate from a solvent mixture", https://doi.org/10.58132/ZBCIUI, Dane Badawcze UW, V1

DatasetResearch data for publication "Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy"
Mar 4, 2025

Malińska, Maura, 2025, "Research data for publication "Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy"", https://doi.org/10.58132/VLYGQC, Dane Badawcze UW, V1

DatasetX-ray data for crystal structure of sulphocalix[8]arene sodium salt
Aug 1, 2024

Malińska, Maura, 2024, "X-ray data for crystal structure of sulphocalix[8]arene sodium salt", https://doi.org/10.58132/MCAKWT, Dane Badawcze UW, V1

DatasetX-ray data for crystal structure of cucurbit[7]uril and histidine complexes
Mar 14, 2024

Malińska, Maura, 2024, "X-ray data for crystal structure of cucurbit[7]uril and histidine complexes", https://doi.org/10.58132/9K82EA, Dane Badawcze UW, V1

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