|
|
|
eHiTS ®:
Electronic High Throughput Screening
|
 |
Speed
Test Results for
eHiTS Lightning
|
 eHiTS 2009 Speed technical note.
To see other eHiTS 2009 technical notes, visit our recently updated technical notes pages.
Test case 1: wide variety of ligand sizes and flexibility - all docked to the same receptor
This speed test for eHiTS Lightning 2009 vs. eHiTS v6.2 was carried out
on
a single Intel processor
Pentium4 2.4 GHz PC with 1 GB memory, running RedHat
Linux and comparing the speed of that to an IBM QS20.
85 drug-like ligands, with a wide-variety of sizes:
from 1 - 12 fragments, and from 0 to 20 rotatable bonds, 1CX2 (cox2)
receptor taken
from the Protein
DataBank. The average speed up for all the 85 ligands at
accuracy 1 levels of the eHiTS software are shown on the chart
above. Max speed up
reached is 37x on this test set.
|
|
[eHiTS Links]
|
|
|
[Related Products]
|
|
|
|
|
