← back to “Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking” 13 representative ensembles accounting for 96.2% of the configuration space resulted from clustering analysis are ordered by the corresponding MD time step. The four largest cluster ensembles account for over 66% of the configuration space from the 20 ns MD simulation.

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13 representative ensembles accounting for 96.2% of the configuration space resulted from clustering analysis are ordered by the corresponding MD time step. The four largest cluster ensembles account for over 66% of the configuration space from the 20 ns MD simulation.

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