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1.
Figure 2

Figure 2. From: Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules.

(A) Structure of ecteinamycin showing configurational assignment based on NOEs and J-couplings. The configurations of stereocenters marked by asterisks and that of stereocenters 8–14 relative to stereocenters 24–34 were unknown. (B) Final structure with PSL-derived relative configuration.

Gabriel Cornilescu, et al. ACS Chem Biol. ;12(8):2157-2163.

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2.
Figure 1

Figure 1. From: Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules.

(A) DFT 3D models of enterocin with opposite chirality at C5–H5. Green is the correct and red is the incorrect configuration. (B) Correlation plot between experimental 1DCH and their SVD back-calculated values for using the structures in panel A. The lower limit of the RDC experimental errors (~0.5 Hz) is approximately the size of the dots.

Gabriel Cornilescu, et al. ACS Chem Biol. ;12(8):2157-2163.

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