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Finding needles in haystacks: Reranking DOT results by using shape complementarity, cluster analysis, and biological information

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Abstract

We present an evaluation of our results for the first Critical Assessment of PRedicted Interaction (CAPRI). The methods used include the molecular docking program DOT, shape analysis tool FADE, cluster analysis and filtering based on biological data. Good results were obtained for most of the seven CAPRI targets, and for two systems, submissions having the highest number of correctly predicted contacts were produced. Proteins 2003;52:33–40. © 2003 Wiley-Liss, Inc.

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