Figure_6.tif (565.35 kB)
Speed versus different measures for five levels of orientational sampling.
figure
posted on 2013-10-01, 02:20 authored by Ryan G. Coleman, Michael Carchia, Teague Sterling, John J. Irwin, Brian K. ShoichetSpeed measured in mean time in hours across all 102 DUD-E Targets against three measures of docking performance: Adjusted logAUC, AUC and EF1. Data shown for the full MMFF94S energy function used in ligand bulding (Green Squares) as well as the energy function with electrostatics turned off (Orange Diamonds).
