Table 1.

Free energy (ΔG) of binding for different galectin-1/disaccharide complexes

	ΔGexp(kcal/mol) (1)	ΔGsim(kcal/mol)
Galβ1,4GlcNAc	−5.66	−5.72
MeO-2Galβ1,4Glc	−5.84	−6.50
Galβ1,3GlcNAc	−5.79	−6.45
Galβ1,4Man	−5.39	−6.10
Galβ1,4Fruc	−5.41	−5.21
Galβ1,4Glc	−5.17	−5.62
Galβ1,3Arp	−5.15	−4.14
Galb1,4Glcβ-OMe	−5.00	−5.20

Free energy differences comparison between experimental ITC measurements (ΔG_exp) and computationally estimated with the MSTC method (ΔG_est).