Template CoMFA Generates Single 3D-QSAR Models that, for Twelve of Twelve Biological Targets, Predict All ChEMBL-Tabulated Affinities
Fig 5
Comparison of input template alignments for the BACE target.
The left panel depicts 13 ligands extracted from crystallographic structures of BACE. The right panel shows three of those ligands as optimally realigned by the Surflex-SIM program.