Effective rigid body search using generalized 5D Fourier transform

In this work the new effective rigid body search algorithm is developed. The problem of rigid body search often emerges in shape matching, e.g. in protein-protein docking. The proposed method is based on exhaustive search in spherical polar Fourier space and employs 5D generalized FFT to accelerate the calculations. The main advantage of this approach is the fast calculation of multi-property scoring functions, lowering computational costs of high accuracy search.