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. Author manuscript; available in PMC: 2012 Mar 8.
Published in final edited form as: J Chem Theory Comput. 2011 Mar 8;7(3):658–668. doi: 10.1021/ct100651f

Table 1.

Non-covalent interaction types present in the interaction energy database (Only data used for the benchmark studies in this work was counted. For all the data see the supplementary information).

Number of Data points Interaction Energy Range
(min/max in kcal/mol)
Dispersion and/or Dipole-Dipole Dominated 1036 −11.83 / 3.71
Hydrogen Bonded, not charged 137 −22.95 / 0.61
With Ionic Interactions 542 −110.80 / 4.62