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. Author manuscript; available in PMC: 2013 Jun 19.
Published in final edited form as: J Chem Theory Comput. 2010 Mar 9;6(3):637–646. doi: 10.1021/ct900668k

Figure 7.

Figure 7

Lennard-Jones (top) and electrostatic (Coulombic + GB, bottom) stresses in two conformations of the CB7 complex with monoammonium guest B4. Left: conformation with peak force. Right: conformation immediately after peak force, with guest shifted to top portal.