Abstract
Protein data in the PDB covers only a snapshot of a protein structure. For flexible docking confor-mational changes need to be considered. Rotamer statistics provide the likelihood for side chain conformations, and further comparison of bound and unbound state yields differences in preferred positions. Furthermore, we do a full sampling of selected angles and apply the AMBER force field. Conformation of energy minima complies with the rotamer statistics. Both types of information target the reduction of search space for enumerative docking algo-rithms and provide parameters for elastic docking.