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Table 3 Intermolecular interaction energy (ΔE) values and hydrogen bonds between Obidoxime and both AChE species

From: A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase

AChE Interaction Energy (kcal.mol−1) H-Bonds H-bond Strength (kcal.mol− 1)
Human −107.98 H2O −2.43
H2O −4.17
H2O −2.50
H2O −5.00
Ser294 −2.24
Glu281 −2.50
Gly117 −1.69
Rat −91.88 H2O −1.18
H2O −3.46
H2O −5.00
Thr238 −7.52
Gly234 −1.18
Glu313 −2.24
Asn533 −0.72
Gln369 −0.96