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. Author manuscript; available in PMC: 2013 Oct 22.
Published in final edited form as: J Chem Inf Model. 2012 Sep 28;52(10):2638–2649. doi: 10.1021/ci3002952

Fig. 1.

Fig. 1

Workflow illustrating computational implementation of history enhanced DMS. Boxes indicating computations with all-atom details are presented in deep blue, while those involving OPs are shown in light blue.