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. Author manuscript; available in PMC: 2010 Apr 19.
Published in final edited form as: J Comput Aided Mol Des. 2008 Aug 5;22(10):727–736. doi: 10.1007/s10822-008-9231-6

Fig. 1.

Fig. 1

Improved flooding procedures. a) The active site of HIV-1 Protease (PDB ID 1HHP) is flooded with 1253 benzene molecules via the old procedure on the left and b) with 500 benzene molecules via the new procedure on the right. The new flooding procedure places more probes directly in the active site (circled in black).