Table 5.

Computation times (minutes) as a function of maximum number of conformers per ligand (based on RAW conformer sets)

	Maximum number of conformers per ligand
Sets	5000	1000	200
NEP	38.4	19.8	4.2
DHFR	17.5	11.0	3.5
Chk1	2.8	2.6	1.8
NEU	3.6	3.6	3.4
CA	4.9	4.8	2.7
ADA	52.2	16.2	5.4

Elapsed times for overlay generation and filtering on an Intel T7500 2.2 GHz processor, excluding time required for conformer generation but including solution analysis