Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics.

J Chem Inf Model · 2020 · PMC7145342 · PMID 31910338

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closest p

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boldest claim

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quite significantno p-value reported

It should be noted that the rmsd between the 10 reference structures can be quite significant, especially in the cases of the red category ( Figure 11 ) and in the region of MD-rmsd > 3 Å.

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