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Digital Parasite
10-31-2006, 01:59 PM
Not much action in this forum lately so I thought I would post some info that people might have missed from David Baker's journal (http://boinc.bakerlab.org/rosetta/forum_thread.php?id=1177#29373).


You will have seen by now on your screensavers the addition of the protein sidechains during the "fullatom relax" stage of the simulations. This gives you a more complete picture of the "3 dimensional jigsaw" nature of the protein folding problem, where the challenge can be viewed as getting all the pieces of the puzzle to fit together perfectly with no holes.

Our dream now is to make rosetta@home interactive, so you can move the chain around if you see a possible way to solve the puzzle. we are talking with colleagues in the CS department here who are experts on video games about how to approach this. eventually you could imagine designing proteins to cure diseases for fun and relaxation--I think it is possible that it could be made as engaging as a standard computer game. (we haven't thought about the ramifications for credits, but if you can guide the simulation yourself, you should get a higher score for finding lower energy solutions ... . but we won't have to cross this bridge for quite a while!).

and a response to a question about it:


all of the work units we would send out would keep the part that would be important for curing the disease constant but the other parts would be variable. this is what we are doing now, your computers are exploring different possibilities for the variable regions. if we can go interactive, you would help your computer explore the different possiblities. we would rank all the solutions that each of you return by their energies, and then experimentally test the lowest energy solutions.

now, suppose that you designed a protein and it turned into a blockbuster drug--maybe you should get some fraction of the royalties? thus far all income from licensing rosetta to companies has gone straight back into research and development and I want this to continue, but the double incentive of contributing both to global health and possibly getting some money back could make this vision of an interactive multiplayer rosetta "game" quite popular globally which would be great for human health and research (and who knows, there could be a 13 year old in Nepal who turns out to be a whiz at designing proteins!). but I should emphasize that this is still more fantasy than reality right now.

A video-game version would be pretty interesting I think it if could actually produce good results.

Digital Parasite
11-01-2006, 07:32 AM
Some more info posted today:


We are actively considering now several different approaches for building interactivity into rosetta@home which I think will be tremendously exciting. In the simplest scenario, you will be able to propose moves to the computer to try out, for example rotating around a bond you select. In the current version, running on your computers, the computer selects moves at random, and then accepts those moves which reduce the energy. In the interactive version, whenever you have an idea, the computer will try out your move instead of picking randomly. This will let those of you who are interested to become actively involved in the searches, which should be more fun than watching the screensaver, and I'll bet there are some protein folding geniuses out there who will be able to work wonders! We are also thinking of having the 5-10 best models found thus far, and the names of the finders, in a panel on the screen that if you want you can start from and try to improve.

jasong
11-01-2006, 09:56 PM
What would be really cool about this is if someone thought they had a good algorithm for folding, this would make it easier to test.

Question: Is it possible to make a screensaver where a program acts like a person controlling a mouse, but when actual movement or keyboard activity is detected, gives back control? It would be nice if someone made a program where mouse or keyboard activity before the screensaver activates would reset the time until the screensaver starts, but once it actually starts, only keyboard activity could stop it. Alternately, since most mouse clicks happen with the left mouse button(unless you're set up as a lefty) maybe the button under the middle finger could be what stops screensavers.