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

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

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

ISSN: 1472-6807