Fig. 1: Schematic diagram of the simulation methods. | NPG Asia Materials

Fig. 1: Schematic diagram of the simulation methods.

From: Simulation of nanoparticles interacting with a cell membrane: probing the structural basis and potential biomedical application

Fig. 1

a All-atom model of a POPC lipid molecule in AAMD simulation. Model is made up of various atoms. b CG model of a POPC lipid in CGMD simulation. Model is constituted by diverse beads, wherein the interaction parameters are derived from atomic groups in the all-atom model. c CG model of a POPC lipid in DPD simulation. The model is constituted by two kinds of beads (purple, hydrophilic beads; green, hydrophobic beads).

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