Enrichment curve (1DWD)

• 1 conformation (no H)

• On 195 MHz R10000 SGI, 100 conformations with hydrogens takes about 1 minute per ligand.
• 1 conformation, no hydrogens takes 0.5 second per ligand on the same machine.
• More modern R12K or Pentium III (Linux) machines are 2 to 3 times faster.
• Clearly, there is a large amount leeway for speed vs enrichment tradeoffs.