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. Author manuscript; available in PMC: 2014 Sep 12.
Published in final edited form as: Proteins. 2008 Aug 15;72(3):848–862. doi: 10.1002/prot.21979

Figure 5.

Figure 5

FNR:Fld rigid-body docking and interface refinement. (A) Binding energy vs. inter-molecular distance between FAD and FMN from FNR and Fld, respectively (dots: rigid-body docking; open circles: interface refinement). (B) Binding energy vs. RMSD of Fld interface Cα atoms with respect to the FMN domain of CPR, when FNR and CPR FAD domain are superimposed (black: rigid-body docking; open circles: interface refinement). (C) Binding energy plus restraint-based pseudo-energy vs. distance between cofactors. (D) Binding energy plus restraint-based pseudo-energy vs. ligand RMSD.