Analysis of the impact of deformations on the results of the CAPRI experiment
 

Miriam Eisenstein, Weizmann Institute of Science.
 

The results of the CAPRI experiment indicate that rigid body docking procedures are able to tolerate considerable structural deformations (e.g. T01, T10 and T11). However, larger deformations that involve hinge movements, are a problem not only when they are real, as in T09, but also when they are anticipated, as in T11 and T13. It appears that the current scoring functions cannot be used to predict if a hinge movement is likely to occur or not. In cases when a hinge movement is known to occur, a multi-rigid-body approach can be used to predict the structure of the complex.