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Figure 6 | BMC Genomics

Figure 6

From: FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection

Figure 6

Example of results from the snapshot selection algorithm. (a) Table T0 of results in the order of execution from the original exhaustive docking simulations. (b) Table T1 of results assigned according to the FEB in an ascendant order. (c) T2 is the table of results in which the minimum RMSD is smaller than the Maximum RMSD specified, while T3 contains results for which the RMSD is larger than the Maximum RMSD. (d) T4 summarizes the list of receptor’s snapshots that will make up the FFR model with reduced dimension (RFFR model).

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BMC Genomics

ISSN: 1471-2164

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