Illustration of the potential value of combining FEATURE models. A. An ATP binding pocket in PDB structure 1CSN. Enlarged are N6 (blue) and PG (yellow) atoms in ATP. B. Parts of the molecule considered by a putative FEATURE model centered on N6 with shells out to 7.5 Å. Such a model might have poor ability to separate positive sites and negative sites, as shown in the histogram on the right with substantial overlap of (red) positive sites and (blue) negative sites. C. Parts of the molecule considered by a putative FEATURE model centred on PG with shells out to 7.5 Å. Again, such a model might have poor discriminating ability, as shown in the score distributions on the right for (red) positive sites and (blue) negative sites. D. Parts of the molecule considered by an analysis which combines the two marginal models in B and C. By evaluating hits to multiple models along with appropriate distance constraints, it is possible to achieve better combined performance than either single model alone, as show in the putative plot on the right.
Halperin et al. BMC Genomics 2008 9(Suppl 2):S2 doi:10.1186/1471-2164-9-S2-S2