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. 2021 May 15;22(10):5238. doi: 10.3390/ijms22105238

Figure 11.

Figure 11

The radial distribution functions (RDFs) calculated from the MD simulations for selected parts of the system. They included pyranose rings of CDs (center-of-mass) and either the whole CA molecule (upper panels) or some of the functional groups present in the CA molecules and identified as significant in CA–CD binding.