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. Author manuscript; available in PMC: 2022 Feb 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Sep 24;35(2):167–177. doi: 10.1007/s10822-020-00344-8

Figure 2. Example of a user-defined radius that covers a particular area of interest.

Figure 2.

Here, the MUP-1 protein-ligand system is shown. The radius used (indicated by the black dashed line) defines a sphere around a user-selected atom (represented by a blue star) in the system, such as an atom inside the binding site of a protein.