Absolutely definitely not. It's not even possible to simulate a single protein-molecule interaction to an accuracy such that reaction rates are reproduced at r

Absolutely definitely not. It's not even possible to simulate a single protein-molecule interaction to an accuracy such that reaction rates are reproduced at room temperature. Small effects such as the quantum nature of H-motion prevent this from happening with present computational resources. This research is something like a pixar movie, or one of those blender demos with a lot of balls :P