Skip to main content
. Author manuscript; available in PMC: 2009 May 6.
Published in final edited form as: J Am Chem Soc. 2008 Jun 28;130(29):9492–9499. doi: 10.1021/ja8019214

Table 6.

Summary of FEP-DW Results for Optimization of the Linker X

graphic file with name nihms88205t5.jpg
X ΔΔGb (kcal/mol) σ
CH2 0 0
(R)-CHCH3 0.50 0.21
(S)-CHCH3 2.80 0.18
NH 1.20 0.21
NCH3 −1.60 0.29
O 1.37 0.16
S −1.40 0.19