. Author manuscript; available in PMC: 2011 Jul 15.

Published in final edited form as: Bioorg Med Chem. 2010 Jun 1;18(14):5148–5156. doi: 10.1016/j.bmc.2010.05.060

Table 1.

Selected Inhibitors for HisI

ID	G-score kcal/mol	MM- PBSA kcal/mol	MM- GBSA kcal/mol
HisI1	−15.23	−55.73	−22.50
HisI2	−14.44	−60.15	−29.58
HisI4	−14.08	−60.16	−25.46
HisI8	−13.80	−22.33	−22.28
HisI9	−13.69	−35.48	−30.28
HisI11	−13.42	−45.83	−19.40