2) As noted above, the results from Phase 1 of “Discovering Dengue Drugs – Together” have moved into Phase 2 of “Discovering Dengue Drugs – Together”. All calculations for Phase 2 should be completed within the next few months, after which we will move this project to a “completed” state and post our results to the web. Encouragingly, even at this stage our calculations have identified several new dengue protease inhibitors that have been validated with biochemical and cell culture assays in our laboratory; these leads are entering crucial pre-clinical pharmacokinetic and efficacy studies. In addition, most of these lead compounds inhibit both dengue and West Nile virus proteases. Thus, The Phase 2 project has been very valuable in helping to identify some false positive hits, thus allowing us to concentrate our resources and time on the most promising hits.

All my best,
Stan (11/14/12)

I have been in the process of validating the Free Energy of Binding code after solving the issues that came up with - the molecular dynamics software version, the parametrization of ligands code, etc. Now, I have given 8 co-crystal's alpha-test and after they are done, I will submit the 2000 ligand GSBP calculation for the pre-run calculation shortly.

I really appreciate all your help. I will also update about the paper that I am drafting currently on dengue virus and a portal that we have developed in collaboration with TACC soon.

-Usha. (11/14/12)

Right now, we are alpha testing some work units. If that goes perfectly, pre-run work units could be generated after alpha testing is completed. Once all of the pre-run work units are completed, type A work units would be generated and made available. Even under the best of circumstances, I would expect it to take at least two weeks before any type A work units would be available (and that's assuming everything goes flawlessly). A more likely estimate would be further out than that.

Seippel (11/16/12)

We have a batch of work units received at WCG, but we need to alpha test them. So they may become available in December, unless they get delayed by the end-of-the-year squeeze, or some other problem.

Lawrence (11/17/120