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Updated: Feb 11, 2026

Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae
Published on: January 10, 2018
Electronic Insight into an Antithrombotic Agent by High-Resolution X-Ray Crystallography
Ralf Flaig1, Tibor Koritsánszky2, Rainer Soyka3
1Institut für Chemie/Kristallographie der Freien Universität Berlin Takustrasse 6, 14195 Berlin (Germany) Fax: (+49) 30-838-53464.
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.
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