[1][2] In 1990 Professor Ephraim Katchalski-Katzir, former president of the state of Israel, gathered a group of physicists, chemists and biologists at the Weizmann Institute of Science, to discuss intermolecular recognition.
One of the outcomes of these discussions was the Katchalski-Katzir Algorithm, proposed by Dr. Isaac Shariv, a physics PhD student at the time.
The Algorithm was implemented in a computer program, MolFit, by Dr. Miriam Eisenstein from the department of Structural Chemistry.
To compute the scores for many alignments efficiently, fast Fourier transform (FFT) is applied to both grids.
Having the grids in FFT form lets the scoring to be computed for many different alignments very quickly.