kburns10 said:
I only used this application once or twice. I never fully understood how it worked, but it sounds like it helped a lot with research at Stanford. Like others, I gotta believe there was a reasoning behind doing this. The article made it sound like a good amount of data was already collected through this. Maybe there is no more need for it?
The gist of these apps is that they start with a protein chain then use the basic laws of motion to give each atom an acceleration and hence a velocity. Even a small protein has a thousand atoms in it, so a thousand atoms to calculate every interaction with each other and potentially some solution they are disolved in to get a force, to get an acceleration, to get a speed, to get a position. All these calculations need to be refreshed every million billionth (1/1,000,000,000,000,000) of a second. Hence, massive computing requirements.