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. Author manuscript; available in PMC: 2012 Jun 1.
Published in final edited form as: J Mol Graph Model. 2011 Apr 9;29(7):947–955. doi: 10.1016/j.jmgm.2011.03.004

Table 2.

The RMSD and docking score from the docking simulation of 6 lowest configurations of co-crystal colchicine with tubulin (1SA0).

Configuration Glide score Δ Gscorea RMSDb(Å) RMSDc(Å)
1 −9.88 0 0.35 0.19
2 −8.94 0.94 0.45 0.24
3 −8.46 1.42 0.68 0.59
4 −8.23 1.65 0.33 0.76
5 −8.05 1.83 0.14 0.92
6 −7.64 2.24 0.82 1.06
a

ΔGscore = EiElowest;

b

RMSD, RMSD between docked poses corresponding to each configuration;

c

RMSD, RMSD between docked and co-crystal colchicine structure (only heavy atoms from core rings are considered).