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Category: Completed Research Forum: FightAIDS@Home Thread: March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket. |
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Thread Status: Active Total posts in this thread: 5
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3294 Status: Offline Project Badges: |
Posting this March 2019 paper which I don't believe was posted here at WCG.
----------------------------------------It seems FightAIDS@Home was used to find compounds that bind to a "Potentially Targetable Inhibitor Binding Pocket." "Given these observations, we performed a preliminary high-throughput virtual screen focusing on the NDI pocket using the FightAIDS@Home project (FA@H; http://fightaidsathome.scripps.edu/Capsid/index.html) in collaboration with IBM’s World Community Grid (https://www.worldcommunitygrid.org/). More than 1.6 million commercially available compounds have been used to target, inter alia, 20 conformations of the NDI pocket, selected from hexameric and pentameric interface assemblies. Preliminary results show that the NDI pocket is a plausible binding site for antiviral compounds (Fig. 9) from a molecular docking point of view. Evaluation and characterization of these compounds are the subjects of an ongoing independent study." https://mbio.asm.org/content/10/2/e02858-18 AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W AMD Ryzen 7 7730U 8C/16T 3.0 GHz |
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kage87z
Cruncher Joined: Jan 20, 2007 Post Count: 1 Status: Offline Project Badges: |
Brilliant
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
So you found one not in the Research Papers listing, great find.
Author credits to Pierrick Craveur, Anna T. Gres, Karen A. Kirby, Dandan Liu, John A. Hammond, Yisong Deng, Stefano Forli, David S. Goodsell, James R. Williamson, Stefan G. Sarafianos, Arthur J. Olson The emphasized are the listed project Research Participants of FAHB aka FAH2. Guess the COVID-19 project in which Scripps / Forli are involved got in the way and caused the lines of communication to buckle. |
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3294 Status: Offline Project Badges: |
I sent this and an OpenZika paper to WCG in early April (I think I posted the OpenZika paper in the their subforum) while asking WCG about another project. Excerpt:
----------------------------------------"The team will discuss adding the papers to the News section. Thank you for bringing this to our attention." This was on April 9. AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W AMD Ryzen 7 7730U 8C/16T 3.0 GHz [Edit 1 times, last edit by Falconet at May 30, 2020 1:24:30 PM] |
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yoerik
Senior Cruncher Canada Joined: Mar 24, 2020 Post Count: 413 Status: Offline Project Badges: |
rip. That's odd.
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