. Author manuscript; available in PMC: 2011 May 18.

Published in final edited form as: Langmuir. 2010 May 18;26(10):7396–7404. doi: 10.1021/la904415d

Table 1.

Free energy of adsorption (ΔG_ads) data for TGTG-X-GTGT peptide over nine different SAM surfaces. 95% confidence interval for mean was calculated using sample size of n=3.

SAM	(ΔG_ads), mean ± 95% CI, (kcal/mol)
SAM	X=Val	X=Thr	X=Asp	X=Phe	X=Lys
CH₃	−1.56 ± 0.56	−2.04 ± 0.76	−0.94 ± 0.79	−3.21 ± 0.80	−0.61 ± 0.43
OH	−0.77 ± 0.32	−0.92 ± 0.85	−0.95 ± 0.75	^*	−0.84 ± 0.79
NH₂	−0.01 ± 0.54	−0.62 ± 0.33	−0.23 ± 0.46	^*	0.17 ± 0.60
COOH	−0.97 ± 0.70	−1.62 ± 0.64	−2.09 ± 1.41	^*	−1.78 ± 0.83
COOCH₃	^*	−0.56 ± 0.45	−0.65 ± 0.32	^*	−0.74 ± 0.94
NHCOCH₃	−2.09 ± 0.16	−1.75 ± 0.95	−1.08 ± 0.56	−2.91 ± 1.28	−0.46 ± 0.11
OCH₂CF₃	−2.10 ± 0.95	−3.41 ± 0.30	−1.72 ± 0.86	−4.11 ± 0.33	−3.70 ± 0.44
OC₆H₅	^*	−2.30 ± 0.51	−1.52 ± 0.68	^*	−2.33 ± 0.48
(EG)₃OH	−0.93 ± 0.80	−1.05 ± 0.13	−0.34 ± 0.85	−0.78 ± 0.33	−0.44 ± 0.59

Systems not considered for simulation as experimental data were not available for comparison.