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. Author manuscript; available in PMC: 2021 Oct 22.
Published in final edited form as: J Chem Inf Model. 2021 Feb 3;61(2):856–868. doi: 10.1021/acs.jcim.0c01384

Figure 5.

Figure 5.

Correlation analysis of standardized simulated and experimental B-factors of the contact residues (upper panel) and the PCLs (lower panel) for the PPAT-Ppant system. The residue names of contact residues or atom names of Ppant are annotated. R is the Pearson correlation coefficient.