The Bio-Fragment Database

Given the very large number of fragment pairs in the database, the benchmarking work is using a tiered system in which the 

CiAiiCED Polar Nonfour Qiakged Polar Nonpolar Charged Polar Nonpolar 

3 Understanding and Quantifying Intermolecular Interactions using Symmetry-Adapted Perturbation Theory 

There are various forms of energy component analysis that can break down non-bonded contacts in terms of their fundamental 

The next level in the perturbation theory, SAPT2, adds corrections due to MP2-like intramolecular electron correlation, with an increase of computational cost to 0[n ]. The following improvement, which we have called SAPT2+ because it adds the remaining dispersion contributions first- and second-order in W 

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