| Index | Recent Threads | Unanswered Threads | Who's Active | Guidelines | Search |
 |
World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: Next stage? |
| No member browsing this thread |
|
Thread Status: Active Total posts in this thread: 2
|
|
| Author |
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Guys,
Now we are at the 60% milestone of Stage 2. I was wondering what the next stage is going to be, if there is one? I guess that ChemBridge and NCI, no matter how many compounds they contain, are not exhaustive... Theoretically, there should an infinite number of atom/molecule combinations. Therefore, could we experiment with compounds that do not exhist? I.e. have our clients crunch molecular compounds that are not in ChemBridge or NCI, but that have good binding energies. We could even extrapolate new compounds based on the ones that are promising? What do you think? Do you think the complexity is too high? |
||
|
|
Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Tangra,
----------------------------------------I posted a similar question here We can speculate but will not know until we hear a definitive answer from the scientists (and that will probably only happen after they have more results). I would assume the following based on the other two phases: Top hits from Phase 2 (# unknown) from ChemBridge set against mutant (270) HIV panel. That could take a very long time. We could also explore NCI set (270,000) against monomeric HIV (20) and Chembridge set (500,000) against monomeric HIV (20). Beyond that, there are a NUMBER of other chemical databases which could be used: Other chemical databases include: "Asinex; ChemBridge, ComGenex, Contact Services (now known in the USA as ChemDiv Inc.), Maybridge , and Oxford Molecular's HTS Database" [Edit 1 times, last edit by Former Member at Oct 27, 2006 12:41:55 AM] |
||
|
|
|