Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme

► Statistical analysis provides suitable modification of Martini force field. ► The modified Martini force field gives correct description of lysozyme in HCIC. ► Lysozyme has little conformational transition within adsorbent pore. ► Modification extends the applicability of Martini to protein chromatography.