Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments
Kleemiss, Florian
, Puylaert, Pim, Duvinage, Daniel , Fugel, Malte, Sugimoto, Kunihisa, Beckmann, Jens and Grabowsky, Simon
(2021)
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments.
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77 (6), pp. 892-905.
Date of publication of this fulltext: 29 Feb 2024 12:28
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| Item type | Article | ||||
| Journal or Publication Title | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials | ||||
| Publisher: | INT UNION CRYSTALLOGRAPHY | ||||
|---|---|---|---|---|---|
| Place of Publication: | CHESTER | ||||
| Volume: | 77 | ||||
| Number of Issue or Book Chapter: | 6 | ||||
| Page Range: | pp. 892-905 | ||||
| Date | 2021 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik | ||||
| Identification Number |
| ||||
| Keywords | INTERMOLECULAR INTERACTIONS; DENSITY; ACID; REFINEMENT; MOLECULES; MECHANISM; FIELDS; ATOMS; quantum crystallography; ibuprofen; cyclooxygenase; interaction density; electrostatic potential; sila-ibuprofen; polarization | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 56461 |
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