Performance of blind binding site predictors including the pattern-based method, Ligsite<sup>CSC</sup>, and a random baseline predictor.

Abstract

<p>The <i>y</i> axis shows success rate, i.e., fraction of proteins with minimum distance between the top five predicted binding sites and any atom of a ligand in the native complex that is smaller or equal to the distance displayed on the <i>x</i> axis. The five plots concern the scanning method based solely on the hydrogen bond pattern (named “Scanning (hydrogen)”), the scanning method based on the four patterns concerning both hydrogen and covalent bonds (named “Scanning (hydrogen&covalent)”), the result of Ligsite<sup>CSC</sup>, the result of baseline method that randomly picks 5 solvent grid points that are within 5Å from the protein surface (named “Random baseline”), and the results that merge the top two predictions of Ligsite<sup>CSC</sup> and the top three predictions of the scanning method that uses the four patterns (named “Scanning/Ligsite-csc hybrid”).</p

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