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![[Figure 10]](qe5012fig10mag.jpg)
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Figure 10
(a, b) Hydrogen-bond network stabilizing the drug during the uMD simulations. Protein and drug are depicted following the color scheme of Fig. 3 ![[link]](../../../../../../logos/arrows/d_arr.gif){kind=small} , while hydrogen bonds are represented by dashed black lines. (c, d) Free-energy surfaces (FES) obtained from OPES–metaD simulations as a function of the distance between the drug and the binding site and the distance between the drug and the putative exit point. |
![[Figure 10]](qe5012fig10.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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