Crystallographic Fragment Screening: Workflow & Tools | Protocol Preview

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin - a 2 minute Preview of the Experimental Protocol

Jan Wollenhaupt, Tatjana Barthel, Gustavo M. A. Lima, Alexander Metz, Dirk Wallacher, Elmir Jagudin, Franziska U. Huschmann, Thomas Hauß, Christian G. Feiler, Martin Gerlach, Michael Hellmig, Ronald Förster, Michael Steffien, Andreas Heine, Gerhard Klebe, Uwe Mueller, Manfred S. Weiss
Helmholtz-Zentrum Berlin, Macromolecular Crystallography; Freie Universität Berlin, Structural Biochemistry Group, Institute for Chemistry and Biochemistry; MAX IV Laboratory, BioMAX; Philipps-Universität Marburg, Drug Design Group, Institute of Pharmaceutical Chemistry; Helmholtz-Zentrum Berlin, Department Sample Environment;

Crystallographic fragment screening at the Helmholtz-Zentrum Berlin is performed using a workflow with dedicated compound libraries, crystal handling tools, fast data collection facilities and largely automated data analysis. The presented protocol intends to maximize the output of such experiments to provide promising starting points for downstream structure-based ligand design.

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