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. Author manuscript; available in PMC: 2014 Sep 26.
Published in final edited form as: J Comput Aided Mol Des. 2013 Sep 26;27(9):10.1007/s10822-013-9678-y. doi: 10.1007/s10822-013-9678-y

Fig. 2.

Fig. 2

Planned RBFE calculations for the FXa set. Ovals represent molecules, the number inside nodes is molecule title, lines represent planned RBFE calculations. Green lines are a cycle example. Every nodes are in cycle except the red one.