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. 2007 May 7;35(Web Server issue):W568–W572. doi: 10.1093/nar/gkm289

Figure 2.

Figure 2.

Predicted versus experimental structure of raloxifene. The structure of raloxifene (PDB code 1err) (23) was predicted with FROG from a 2D SDF input file or a SMILES string. Several conformers were generated. All atom colors: experimental structure. Yellow: lowest energy structure. Cyan: conformation fitting the best the experimental structure (RMSd 1.2 Å). Inset: the 50 predicted conformations (magenta) superimposed onto the experimental structure with the experimental, lowest energy and best rmsd in stick representation.