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. 2017 Oct 19;39(3):482–491. doi: 10.1038/aps.2017.132

Table 2. Hydrogen bond analyses of D3.32 with JDTic in five OR systems during the whole simulations. All data were produced using the program Gromacs 4.6.5.

Number of hydrogen bonds D3.32 (occupancy %)
μ-OR system δ-OR system κ-OR system μ-OR N2.63V δ-OR K2.63V
1 8.2 8.4 3.4 5.5 11.9
2 68.3 38.0 33.5 35.0 71.1
3 23.3 52.7 63.1 59.3 16.9
4 --a 0.7 -- -- --

a: the symbol “--” represents no related hydrogen bond interaction.