Previous | Next --- Slide 34 of 47
Back to Lecture Thumbnails
jsunseri

Anton was used to observe folding events for 12 structurally diverse proteins: see How Fast-Folding Proteins Fold. They used typical simulation conditions and gathered between 1us and 1ms of simulation time for each protein; for reference, with an integration timestep of ~2.5fs and recording trajectory snapshots every 200ps, a typical researcher uses 10-100ns of simulation time which usually takes between 1 and 2 weeks of real time running on a decent GPU. They don't seem to mention how long it took for them to record ~8ms of total simulation time, but no doubt it was much less time than it would take anyone else (as in, it would probably be infeasible for anyone else) and they observed an impressive ~400 folding/unfolding events.