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Fig. 2 CL-DMD modeling of FKBP.

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Presentation on theme: "Fig. 2 CL-DMD modeling of FKBP."— Presentation transcript:

1 Fig. 2 CL-DMD modeling of FKBP.
CL-DMD modeling of FKBP. (A) Scatter plot of the Medusa force field energy versus the RMSD (in angstroms) from the x-ray structure obtained from a CL-DMD simulation of FKBP with external experimental short-distance cross-linking constraints. (B) Clusters found among the 10% of the structures that had the lowest energies. (C to E) Models, corresponding to each cluster from (B), aligned to the x-ray structure of FKBP (PDB ID: 2MPH). Nicholas I. Brodie et al. Sci Adv 2017;3:e Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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