The atoms common to the ATP binding site of 1ct9 and the APC binding site of 1q19 as found using TIPSA (top) and SitesBase (bottom).

<p>The atoms common to the ATP binding site of 1ct9 and the APC binding site of 1q19 as found using TIPSA (top) and SitesBase (bottom).</p

Atom types used in binding site matching.

<p>Atom types used in binding site matching.</p

Results of <i>k</i>-nearest neighbor classification for the Kahraman and Homogeneous data sets.

<p>Binding sites consist of all atoms within 7 Å of the ligand.</p

The atoms common to the ATP binding sites of, respectively, 1ayl and 1e2q as found using TIPSA (top) and SitesBase (bottom).

<p>The atoms common to the ATP binding sites of, respectively, 1ayl and 1e2q as found using TIPSA (top) and SitesBase (bottom).</p

CE and average runtime per alignment for various seed pair restrictions.

<p>CE and average runtime per alignment for various seed pair restrictions.</p

CE for combinations of factors for various levels of k-nearest neighbor.

<p>CE for combinations of factors for various levels of k-nearest neighbor.</p

CE for the Kahraman (5.3 Å) data set from alternate versions using TI + Gyr to measure similarity.

<p>CE for the Kahraman (5.3 Å) data set from alternate versions using TI + Gyr to measure similarity.</p

Matched atoms from the ATP binding site of 1ayl and ATP binding site of 1e2q found only by either SitesBase or TIPSA.

<p>Matched atoms from the ATP binding site of 1ayl and ATP binding site of 1e2q found only by either SitesBase or TIPSA.</p

CE for studied combinations of search radius and classifiers.

<p>CE for studied combinations of search radius and classifiers.</p

Similarity matrix computed using the TIPSA-TI + Gyr model.

<p>Dark pixels represent greater similarity and light pixels correspond to less similarity. The steroid group consists of both the AND and EST ligand groups in accordance to Kahraman <i>et al</i> (2007).</p