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Comparison of rDock and Smina

Target: SARS Coronavirus 3C-like Protease (the original SARS virus).

This is a repeat of the work desscribed for validating rDock and Smina for DHFR. Look here for that data and for the methodology.

Results

rDock

tool # actives in top 100
rDock 7
Smina - vina 1
Smina - vinardo 2
Smina - dkoes 4
Smina - ad4 5

rDock is the only one that performs at all, and even then not very well, especially in relation to early recall.