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. 2022 Nov 7;62(22):5383–5396. doi: 10.1021/acs.jcim.2c00832

Table 2. Cut-Offs Used for Four of the Five Pseudocenter Classifications.

pseudocenter type cutoff (°) for the angle between vectors r and v
donor DON 100
acceptor ACC 100
donor/acceptor DAC 120
aromatic/PI ARO 100