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We use multiscale modeling to study how the molecular properties of a protein affect its adsorption and transport in ion exchange chromatography matrices with either open pores or charged polymers grafted into the pore structure. Coarse‐grained molecular dynamics (MD) simulations of lysozyme, bovine serum albumin, and immunoglobulin show that higher protein net charge leads to greater partitioning...
A multiscale model is presented to elucidate protein adsorption and transport behaviors in ion‐exchange chromatography (IEC) adsorbent particles that have either an open pore structure or charged dextran polymers grafted into the pores. Molecular dynamics simulation is used to determine protein diffusion and partitioning in different regions of the adsorbent pore, and these outputs are used in numerical...
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