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. Author manuscript; available in PMC: 2022 Apr 16.
Published in final edited form as: ACS Chem Biol. 2021 Mar 18;16(4):615–630. doi: 10.1021/acschembio.0c00784

Figure 8.

Figure 8.

Free energy landscape of (A) CPP-115 and (B) OV329 in water constructed via PCA analysis. OV329 exists as a single conformation while CPP-115 clearly shows two distinct conformations (axial and equatorial).