Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments

Kleemiss, F.; Puylaert, P.; Duvinage, D.; Fugel, M.; Sugimoto, K.; Beckmann, J.; Grabowsky, S.

doi:10.1107/S2052520621009379

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 8
Bar plots of the cumulative integrated difference density (N_e) in e between an environment (C, S and G) and the protein model (P) for all covalent bonds present in ibuprofen (top) and sila-ibuprofen (bottom). The colour code is also visualized in Fig. 7

and explained in the text.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 6| December 2021| Pages 892-905

https://doi.org/10.1107/S2052520621009379

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