Modeling Research

  • Can we predict glycopolymer aggregation?
  • Double helix formation?
  • Modeling scales range from single monosaccharides (QM) to >50 MDa (CG)
Multiscale molecular modeling of glycopolymers spanning quantum mechanical (QM) to coarse-grained (CG) representations
Multiscale molecular modeling of glycopolymers, spanning quantum mechanical (QM)
to coarse‑grained (CG) representations.
GlycoMIP
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