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KNOBLE: A Knowledge‐Based Approach for the Design and Synthesis of Readily Accessible Small‐Molecule Chemical Probes To Test Protein Binding
Author(s) -
Gerlach Christof,
Münzel Martin,
Baum Bernhard,
Gerber HansDieter,
Craan Tobias,
Diederich Wibke E.,
Klebe Gerhard
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200703323
Subject(s) - matching (statistics) , template , computer science , combinatorial chemistry , enumeration , ligand (biochemistry) , molecule , chemistry , programming language , mathematics , biochemistry , combinatorics , organic chemistry , statistics , receptor
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.