Extended Data Fig. 8: Representative snapshots during unbiased simulations of CB1-CP55940, starting from the crystal structure (PDB: 6KQI). | Nature Chemical Biology

Extended Data Fig. 8: Representative snapshots during unbiased simulations of CB1-CP55940, starting from the crystal structure (PDB: 6KQI).

From: Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1

Extended Data Fig. 8: Representative snapshots during unbiased simulations of CB1-CP55940, starting from the crystal structure (PDB: 6KQI ).The alternative text for this image may have been generated using AI.

(a) Conformation comparison of representative snapshot in trajectory #2 (smudge) and CP99540 bound inactive CB1 (PDB: 6KQI) (gray). (b) Along the MD trajectories of CP55940-bound CB1, a small number of other different binding poses exist for CP55940.

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