Polysaccharide clustering in an implicit water solvent


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A dilute system of equally sized anionic polysaccharides suspended in an
implicit water solvent was studied using molecular dynamics to determine
the aggregation or clustering of molecules over time.Here, a
polysaccharide with a chain length of six glucose monomer units (M=6) is
observed to aggregate into small clusters as the MD simulation
progresses. Simulation parameters are as follows: N = 200, k = 3000, /?
/= 100, density = 0.01, charge per molecule = -1 (charged species are
colored red).


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