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This is all correct. These simulations actually can model molecular crowding by using a diffusive propensity proportional to the particles in the adjacent cells but I don’t think it was used here. I developed this methodology in grad school, but it didn’t go any where.

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Thanks for confirming my take. This is a little out of my comfort zone.

Do you see a future for this simulation method with increased computing power, or do you think limitations of the method might still limit its applicability. Maybe this is naivete coming from atomistic perspective, but it seems to me that the inability to model reactions that aren't explicitly predefined would be a significant challenge.

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