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It's probably hopeless to try to simulate a cell at the atomic level. Instead, it seems to me that computational biologists try to build models of cells[1] whe
by grondilu 9y ago
It's probably hopeless to try to simulate a cell at the atomic level. Instead, it seems to me that computational biologists try to build models of cells[1] where if I understand correctly all occuring molecules are tracked as concentrations, not as particles. Presumably, possible reactions are established not by solving the Schrödinger equation but with empiric models and whatnot.
I don't know how closely such a model can match an actual cell behavior, but I don't see any reason it can not do so pretty well, while also being computationally efficient thus doable.
1. https://en.wikipedia.org/wiki/Cellular_model https://en.wikipedia.org/wiki/Cellular_model
- letitgo12345 9y agoThe challenges involved are still insanely tremendous. For ex, correctly simulating folding a lot of the larger human proteins de novo is still beyond our capabilities.
- grondilu 9y agoIt's not exactly the same problem. A cell model will hopefully not have to know the exact geometric configuration of a protein, as long as it contains a rich enough collection of possible reactions with other proteins. Determining those reactions is difficult indeed, but it only has to be done once, and one can hope it will be done soon with quantum computers.