FTDock

Discretises two molecules onto orthogonal grids and performs a global scan of translational and rotational space. In order to scan rotational space it is necessary to rediscretise one of the molecules (for speed the smaller) for each rotation. The scoring method is primarily a surface complementarity score between the two grids. To speed up the surface complementarity calculations, which are convolutions of two grids, Fourier Transforms are used.