Only SAS appeared to be sufficiently fast and reliable to be useful for database searches. It can reliably dock relatively small and fairly rigid molecules in a few seconds, and larger and more flexible molecules in a few minutes. The remaining algorithms tested were able to reliably dock the small and fairly rigid molecules, but showed little or no reliability when docking large or flexible molecules.
In addition, to decrease the error in the typical grid-based energy evaluations a new form of interpolation, logarithmic interpolation, was proposed. This interpolation scheme was shown to both quantitatively reduce the numerical error and practically to improve the docking results.
Diller D.J., Verlinde, C.L..M.J. (1999). A critical evaluation of several global optimization algorithms for the purpose of molecular docking. J. Comp. Chem. 20, 1527-1532.