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. Author manuscript; available in PMC: 2015 Jan 27.
Published in final edited form as: J Chem Inf Model. 2014 Jan 15;54(1):195–208. doi: 10.1021/ci4005767

Table 1.

Percentage of the total number of conformations captured by the four most representative clusters and RMSD mean and distributions within the clusters.

Cluster Size/Total Population Mean RMSD (Å) Global RMSD (Å) (Backbone) Reference:Cluster1 Pocket RMSD (Å) (Backbone) Reference:Cluster1
1 25 % 0.290 - -
2 19 % 0.291 3.821 1.955
3 17 % 0.290 5.884 2.545
4 15 % 0.295 6.390 2.563