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CLUB-MARTINI: Selecting Favourable Interactions amongst Available Candidates, a Coarse-Grained Simulation Approach to Scoring Docking Decoys

Fig 5

Comparison with overall performance of ‘scorers’ in CAPRI experiments.

There are three bars for each target: red for CLUB-MARTINI Top_10, orange for CLUB-MARTINI Top_100 and yellow for CAPRI ‘Scorers’. We consider our Top_100 performance significantly better for five targets: T41, T53, T54, T39 and T30 (higher than 1.5 fold relative to CAPRI Scorers); and similar for four more: T47, T40, T37 and T46 (0.67 to 1.5 fold). The ordering of the targets is the same as in Fig 3 (hardest on the right).

Fig 5

doi: https://doi.org/10.1371/journal.pone.0155251.g005