David Koes edited figures/minmized/caption.tex  about 8 years ago

Commit id: c7ef5f8d4fd31f6b0a05e6c77ec0a7ea83dcb309

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%fullfig  %endfig 0.48  %bigcap  \label{minfig} (Left) An example of a pharmacophore-aligned hit from the DUDe SRC target dataset  for a query derived from PDB 2SRC against the DUDe 2SRC benchmarking dataset, 2SRC,  and (Right) the same example after energy minimization. The group that is actually within the electrostatic surface of the protein Steric clashes  in thepharmacophore-aligned pose rotates to fill the hydrophobic  back pocket, pocket are resolved by rotating a phenyl  resulting in anoverall  energy score of -9.05 -12.46  kcal/mol.