COMBINED THEORETICAL MD & EXPERIMENTAL NMR ANALYSIS OF IONIC OLIGOSACCHARIDES

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Dr. Almond will perform NMR experiments to assist in our development of force field parameters for charged sugars, such as uronic acids. In particular, he will perform measurements of residual dipolar coupling values for oligomers of glucuronic and galacturonic acids. We will jointly collaborate on the derivation of RDCs from extensive solvated MD simulations of the same oligosaccharides.