In the case of Oxind_5_9, despite reasonable values of average and standard deviation, analysis of the whole population distribution indicates quite significant fluctuations of RMSD values observed for ~25% of simulation time, which could indicate temporary fluctuations of the ligand structure.
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The Oxindole Derivatives, New Promising GSK-3β Inhibitors as One of the Potential Treatments for Alzheimer's Disease-A Molecular Dynamics Approach.
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