Self-assembly at the multi-scale level: challenges and new avenues for inspired synthetic biology modelling

Bacterial lipids drive compartmentalization on the nanoscale

“…3,4 From the simulation point of view, these systems give rise to multiple challenges because accurate descriptions of the complex ensembles of interactions involved in the selfassembly processes at the molecular level are required. 12 Moreover, if the assembling molecules are charged, the longrange nature of their electrostatic interactions poses further challenges. 13,14 Given these facts, a detailed knowledge of the nature and nanostructure of supramolecular assemblies will need to be based on studies combining both experiments and simulations for mutual validation and support.…”

“…From the simulation point of view, these systems give rise to multiple challenges because accurate descriptions of the complex ensembles of interactions involved in the self-assembly processes at the molecular level are required. 12 Moreover, if the assembling molecules are charged, the long-range nature of their electrostatic interactions poses further challenges. 13,14…”