Skip to main content
. Author manuscript; available in PMC: 2015 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2014 Sep 28;22(22):6409–6421. doi: 10.1016/j.bmc.2014.09.043

Table 1.

XP-docking scores of ligands in proteins with and without water

CDK/p25 protein structures Status of water in the active sites Glide scores
3O0G Water bound − 10.570
No water − 9.925
1UNL Water bound − 9.968
No water − 9.554
1UNG Water bound − 9.208
No water − 8.419
1UNH Water bound − 8.263
No water − 7.441