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Electronic Insight into an Antithrombotic Agent by High-Resolution X-Ray Crystallography.
- Source :
-
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2001 Jan 19; Vol. 40 (2), pp. 355-359. - Publication Year :
- 2001
-
Abstract
- Five instead of 200 days measurement time are sufficient (thanks to area detection rather than conventional scintillation detection) to obtain the accurate charge density distribution of an antithrombotic agent with more than 50 atoms by a high-resolution X-ray diffraction experiment. The preferred sites of intermolecular interactions were identified from various topological properties, such as the reactive surface (zero Laplacian function, see picture) and the electrostatic potential.<br /> (© 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.)
Details
- Language :
- English
- ISSN :
- 1521-3773
- Volume :
- 40
- Issue :
- 2
- Database :
- MEDLINE
- Journal :
- Angewandte Chemie (International ed. in English)
- Publication Type :
- Academic Journal
- Accession number :
- 29712403
- Full Text :
- https://doi.org/10.1002/1521-3773(20010119)40:2<355::AID-ANIE355>3.0.CO;2-R