FAST AND ACCURATE METHOD FOR LATTICE APPROXIMATION OF PROTEIN FOLDS BASED ON DYNAMIC-PROGRAMMING

A dynamic programming method allows one to find the optimal lattice ap proximation of protein chain folds for a given orientation of the prot ein relative to the lattice. Construction of the lattice models free o f chain self-crossings is facilitated by introducing ''repulsion'' pot entials. The quality of approximation is markedly increased when the l inks between units are not rigidly fixed. The calculations carried out for proteins of different structural classes demonstrate the efficien cy and high accuracy of this method in comparison with other ones.