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. 2013 Mar 5;104(5):L5–L7. doi: 10.1016/j.bpj.2013.01.040

Table 1.

Geometrical descriptors and energy barriers (kcal mol−1) of the reaction paths

Structure [O,HS]RC [O,HS]TS α1RC α1TS Ea
SB250 2.37 1.37 109.0 110.2 18.4
2180 2.38 1.30 95.2 108.0 18.2
3984 2.47 1.41 111.0 114.7 25.9
4960 2.36 1.29 89.3 108.4 16.4
5344 2.48 1.37 83.4 106.7 14.3