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Falconet
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March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.

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
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kage87z
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Re: March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.

Brilliant
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Re: March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.

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
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Re: March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.

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.
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[Edit 1 times, last edit by Falconet at May 30, 2020 1:24:30 PM]
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yoerik
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Re: March 2019 Paper - Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.

rip. That's odd.
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