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. Author manuscript; available in PMC: 2012 Apr 7.
Published in final edited form as: J Phys Chem B. 2011 Mar 11;115(13):3725–3733. doi: 10.1021/jp200843s

Table II.

Perturbation energy contributions from five residues of ADI.

Residue N160 R185 R243 E224 R401
NS Model 2.58 -5.33 -0.39 -1.76 -7.61
IP Model -0.69 -3.90 -8.95 12.58 0.23