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. 2015 Jan 28;5:8066. doi: 10.1038/srep08066

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(a) The binding free energy surface for the dissociation of CP-376395 from CRF₂R as a function of the Z-component of the vector connecting the nitrogen on the dimethylpyridine group of CP-376395 and C^γ on the Asn279^5.50 and χ₁ torsional angle of Tyr323^6.63. The three main energy basins B0–B2 found in the metadynamics simulation are highlighted in b–d, respectively; (b)–(d), Structural characterization of the metastable states B0–B2.