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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