NEW DOCKING ALGORITHM-BASED ON FUZZY SET-THEORY

A new docking algorithm based on shape complementarity is presented. T he algorithm is based on Fuzzy Logic strategies. A small number of pos sible docking configurations is selected using partial ordering of a f uzzy measure of topographical properties between complementary surface patches. The algorithm was tested with the structures of three protei n-protein-complexes of serin proteases. In one case the components det ermined separately by x-ray investigations whereas in the other cases the components obtained from the known complex structure were used.