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Results of the rigid-body Monte Carlo (RBMC) simulated annealing of barnase and barstar: Fifty complexes before (A) and after (B) energy minimization. Energy E is the sum of the CHARMM protein force field (param19) and the SCPISM energy ESCP [cf. Eq.(19); parameterized for param19]. Cα–rmsd measured with respect to the crystal structure. ΔE’s are energy differences between the non-native and native complexes.
