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. Author manuscript; available in PMC: 2013 Oct 9.
Published in final edited form as: J Chem Theory Comput. 2012 Mar 26;8(10):3513–3525. doi: 10.1021/ct300088r

Figure 1.

Figure 1

An illustration of the six different orientations generated for fluorobenzene in the binding pocket of α-thrombin obtained by applying applying the SSFEP protocol to benzene conformations from the α-thrombin SILCS simulations. 20 most favorable conformations in each orientation are depicted with the fluorine atom colored differently for each orientation.