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Updated: Sep 21, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Evaluation of the third solvent clusters fitting procedure for the prediction of protein-protein interactions based
Katsuichiro Komatsu1, Youji Kurihara, Mitsuo Iwadate
1School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan.
Abstract:
To predict protein-protein interactions, rough or coarse handling for the induced fit problem is proposed. Our method involves the overlap of two hydrophobic interactions as "third solvent clusters fitting." Predictions for binding sites and geometric centers were acceptable, but those of the binding axes were poor. In this study, only the largest benzene cluster was used for the third solvent clusters fitting. For the next CAPRI targets, we must perform protein-protein interaction analyses, which include other smaller benzene clusters.
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