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. Author manuscript; available in PMC: 2013 Oct 28.
Published in final edited form as: J Mol Model. 2012 Mar 6;18(8):10.1007/s00894-012-1379-2. doi: 10.1007/s00894-012-1379-2

Fig. 12.

Fig. 12

Work done along the forward (black lines) and reverse (red lines) pulling paths: a for AQPZd; b for AQPZe. c Free-energy profiles of AQPZd (black) and AQPZe (red) estimated with the BD-FDT