Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

<div>Evaluation of median FEB values of clusters as a function of compounds. The red circle represents the cluster with best median FEB values for each experiment. The red line highlights the clusters with the best median FEB values at the top.</div>

Computational Intelligence and Neuroscience

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Figure 5

Figure 5: Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments 