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. Author manuscript; available in PMC: 2013 Jun 7.
Published in final edited form as: J Phys Chem B. 2012 May 23;116(22):6380–6386. doi: 10.1021/jp303183y

Figure 1.

Figure 1

Chair puckers and calculated populations of methyl α- (1) and β- (2) l-idohexopyranosides studied using 10 μs unbiased explicit solvent molecular dynamics and NMR spectroscopy (d-isomers). Structures and computed populations of methyl α-l-idopyranuronate (3), studied previously,1 are illustrated for comparison.