KNOBLE: A Knowledge-Based Approach for the Design and Synthesis of Readily Accessible Small-Molecule Chemical Probes To Test Protein Binding

Divide and combine: KNOwledge Based Ligand Enumeration (KNOBLE) is a strategy for the design and synthesis of focused combinatorial libraries. This approach is based on the assembly of potential leads from fragments that are detected by the Cavbase subcavity matching algorithm comparing data from kn...

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Bibliographic Details
Published in:Angewandte Chemie (International ed.) 2007-01, Vol.46 (47), p.9105-9109
Main Authors: Gerlach, Christof, Münzel, Martin, Baum, Bernhard, Gerber, Hans-Dieter, Craan, Tobias, Diederich, Wibke E, Klebe, Gerhard
Format: Article
Language:English
Subjects:
combinatorial chemistry
Combinatorial Chemistry Techniques
Drug Design
ligand design
Molecular Probes
Protein Binding
thrombin
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Summary:Divide and combine: KNOwledge Based Ligand Enumeration (KNOBLE) is a strategy for the design and synthesis of focused combinatorial libraries. This approach is based on the assembly of potential leads from fragments that are detected by the Cavbase subcavity matching algorithm comparing data from known crystal structures.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200703323