| Supporting Information |
Histograms of the geometric quantities computed during CH−π detection; examples of CH−π interactions culled from the PDB involving the aromatic ring of PHE, HIS, TRP, and TYR, colored by AD VINA score (without CH−π); methane–benzene dimer interaction energy surfaces for the type B and C geometries at various vertical and horizontal distances and the corresponding histograms of the C-centroid horizontal offset values in the experimental structures; and rmsd (Å) versus empirical weighting factor (PDF) |
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