wFReDoW: A Cloud-Based Web Environment to Handle Molecular Docking Simulations of a Fully Flexible Receptor Model

Figure 3

Model of P-SaMI data pattern execution. Clustered snapshots are divided into subgroups using the P-SaMI data pattern. Molecular docking simulations are executed on these subgroups. P-SaMI analyses the docking results, based on some evaluation criteria, to select promising conformations from subgroups of snapshots.