Knowledge-based annotation of small molecule binding sites in proteins
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BMC Bioinformatics 2010, 11:365 doi:10.1186/1471-2105-11-365Published: 1 July 2010
Additional file 1:
Table S1: The most common non-biological small molecules found in protein structure complexes. Table S2: Summary of the IBIS predictions and CDD annotation validation for the 44 bound and unbound structures used as test set to compare with existing geometric approaches. Table S3: Variety of small molecules binding in the ATP binding pocket of tyrosine kinase homologs.
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