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Category: Completed Research Forum: Discovering Dengue Drugs - Together - Phase 2 Forum Thread: Discovering Dengue Drugs – Together, project update March 2013 |
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Thread Status: Active Total posts in this thread: 24
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Col323
Senior Cruncher Joined: Nov 4, 2008 Post Count: 372 Status: Offline Project Badges: |
Thanks for the update. It's great we were able to assist your project. I wasn't able to get the badge I wanted to achieve but glad I was able to assist. Lets hope your project completion leads to a vaccine, or better yet, a cure. My hats off to all the scientists for your hard work. Please pass the word to other scientists of the power of WCG. Was going to post, but this says it all better than I could. Ah, another project completed. Time for another new project. We are hungry to crunch! |
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bieberj
Senior Cruncher United States Joined: Dec 2, 2004 Post Count: 406 Status: Offline Project Badges: |
Thanks for the opportunity to become part of your research leading to promising cures for this terrible disease. Best of luck with this project.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks for the update
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kateiacy
Veteran Cruncher USA Joined: Jan 23, 2010 Post Count: 1027 Status: Offline Project Badges: |
Thanks for the update. It's great we were able to assist your project. I wasn't able to get the badge I wanted to achieve but glad I was able to assist. Lets hope your project completion leads to a vaccine, or better yet, a cure. My hats off to all the scientists for your hard work. Please pass the word to other scientists of the power of WCG. Ah, another project completed. Time for another new project. We are hungry to crunch! If WCG had a "like" button for messages, I'd click it for this one! |
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Rickjb
Veteran Cruncher Australia Joined: Sep 17, 2006 Post Count: 666 Status: Offline Project Badges: |
Thanks for the update, Professor Watowich.
----------------------------------------First the good news: We found some drug leads for dengue and West Nile. Here's hoping they lead to useful drugs. Next, the not-so-good news: there are unknown factors causing the drug-discovery software that you used (AutoDock and CHARMM) to fail to reliably predict ligand-protein binding behaviour for some protein systems. This is important, not only for your DDDT project, but for other docking projects here at WCG (FAAH, HFCC, GFAM, DSFL & SN2S), and also for researchers outside of WCG who are trying to find drug leads by performing computer simulations. There must be answers as to why this happens, and I wish future researchers success in identifying the reasons and overcoming the problems. Prof W. has already alluded to one avenue for investigation of why the free energy of binding calculations are unreliable: for some proteins the calculations are reliable, but for other proteins they are not. If the calculations were to be tested on more proteins, it may be possible to identify the features of proteins that cause the unreliability, propose mechanisms that explain this behaviour, and hopefully suggest software modifications that will improve the results. [Edit]: Question - Would the changed calculations recently introduced in FAAH AutoDock version 7.15 make any difference to the false positives that were found in DDDT1? [/Edit] Hope to see DDDT3 down the track ... @ZoSo: It's not WCG's fault that the DDDT2 calculations did not always produce reliable results. It's the nature of research. And even though many calculations were not accurate, they did enable the discovery of some drug leads. But if you're going to take your bat & ball and go play somewhere else, perhaps you'd better not just stop somewhere else on the internet. Try another universe where the rules are different. The gods that set this one up made some things just so-o-o inconvenient. [Edit 2 times, last edit by Rickjb at Mar 27, 2013 8:58:33 AM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thank you for the updates & my best wishes to the research team in their ongoing research.
Though this the first project i'm stuck in the middle of two badge levels and dddt2 would've been my most wished-upon sapphire badge, i feel very pleased that i could contribute to the project with the exact nice binary number of 2^11 work units on merely 2 computers, and it was a lot of work to catch those ;) Please keep us informed and the good luck in finding a treatment. |
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frostek
Cruncher Joined: Dec 24, 2010 Post Count: 1 Status: Offline Project Badges: |
Thanks for the update. I've been happy to help in whatever small way I can.
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Trotador
Senior Cruncher Joined: Mar 26, 2009 Post Count: 154 Status: Offline Project Badges: |
Very happy to hear that you have reached the end of the project, well the computer aided part, and amazed that you found out some promising compounds. It makes we all very proud of our contribution and full of will to continue crunching for other projects.
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Warped@RSA
Senior Cruncher South Africa Joined: Jan 15, 2006 Post Count: 419 Status: Offline Project Badges: |
Thanks for the update. It's great we were able to assist your project. I wasn't able to get the badge I wanted to achieve but glad I was able to assist. Lets hope your project completion leads to a vaccine, or better yet, a cure. My hats off to all the scientists for your hard work. Please pass the word to other scientists of the power of WCG. Ah, another project completed. Time for another new project. We are hungry to crunch! My thoughts exactly.
Dave
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olivier3191
Senior Cruncher France Joined: Mar 4, 2005 Post Count: 239 Status: Offline Project Badges: |
Thanks for the update. It's great we were able to assist your project. I wasn't able to get the badge I wanted to achieve but glad I was able to assist. Lets hope your project completion leads to a vaccine, or better yet, a cure. My hats off to all the scientists for your hard work. Please pass the word to other scientists of the power of WCG. Ah, another project completed. Time for another new project. We are hungry to crunch! My thoughts exactly. Same for me. |
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