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Table 1 Autodock VINA affinity scores for the antagonist CP-376395 – CRFR1 complex

From: Rosetta Broker for membrane protein structure prediction: concentrative nucleoside transporter 3 and corticotropin-releasing factor receptor 1 test cases

CRFR1 receptor structure Heavy-atom RMSD of 8-residue fragment of 6TMH
[Å]
Autodock VINA affinity score
[kcal/mol]
Crystal 0.00 −9.46
Template-based 7.99 18.16
Broker-refined 3.41 −6.79