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. 2011 Jul 25;16(8):6243–6254. doi: 10.3390/molecules16086243

Table 3.

The vdW, electrostatic and sum interaction energies (EvdW, Eele and Esum) involving chamaejasmine with the key residues of tubulin protein a.

Residue EvdW Eele Esum
IleB24 −2.40 −0.60 −3.00
HisB28 −5.91 −3.13 −9.04
GlnB43 −1.51 −5.60 −7.11
ThrB234 −4.98 −3.95 −8.93
MetB235 −5.72 −4.35 −10.07
SerB236 −7.84 −1.14 −8.98
GlyB237 −5.51 −0.65 −6.16
ThrB239 −3.23 −1.99 −5.22
ThrB240 −6.64 −6.11 −12.75
PheB244 −3.79 0.53 −3.26
AlaB273 −2.52 −1.27 −3.79
ArgB320 −4.84 −19.36 −24.20
GlyB321 −1.63 −0.65 −2.28
ProB360 −5.54 −8.17 −13.71
ArgB369 −3.00 −0.23 −3.23
GlyB370 −3.77 0.62 −3.15
LeuB371 −3.11 −0.33 −3.44
SerB374 −8.22 −1.07 −9.29
AlaB375 −3.35 −0.04 −3.39

a Energy units in kcal mol−1.