AlphaFold2 structures guide prospective ligand discovery

AlphaFold2 structures guide prospective ligand discovery - Science

Some studies have found that deep-learning structure prediction tools such as AlphaFold2 (AF2) do not perform well for docking of known ligands.

AlphaFold2 structures guide prospective ligand discovery - PubMed

AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition. We prospectively docked large libraries ...

(PDF) AlphaFold2 structures guide prospective ligand discovery

We prospectively docked large libraries against unrefined AF2 models of the σ2 and 5-HT2A receptors, testing hundreds of new molecules and comparing results to ...

AlphaFold2 structures template ligand discovery - bioRxiv

... ligands that we had previously found docking against the receptors' experimental structures, consistent with published results. Prospective ...

AlphaFold2 structures template ligand discovery - PubMed Central

Updated version available: A peer-reviewed version of this article, "AlphaFold2 structures guide prospective ligand discovery", has been ...

AlphaFold2 structures guide prospective ligand discovery - Enamine

AlphaFold2 (AF2) models have had wide impact, but they have had mixed success in retrospective ligand recognition. We prospectively docked large libraries ...

AlphaFold2 structures guide prospective ligand discovery - Bozeman

AlphaFold2 (AF2) models have had wide impact, but they have had mixed success in retrospective ligand recognition. We prospectively docked large libraries ...

Assessing accuracy of AlphaFold2 - Nature

However, the application of AF2 structures in structure-based ligand discovery ... AlphaFold2 structures guide prospective ligand discovery.

AlphaFold2 structures guide prospective ligand discovery

Summary of AlphaFold2 structures guide prospective ligand discovery. Structure-based docking is essential in early ligand discovery, usually relying on ...

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AlphaFold2 structures guide prospective ligand discovery. science.org. 57 5 Comments.

AlphaFold2 structures guide prospective ligand discovery - OUCI

AlphaFold2 (AF2) models have had wide impact but mixed success in retrospective ligand recognition. We prospectively docked large libraries against ...

AlphaFold2 Shows Utility in Drug Discovery through Ligand Discovery

The team used AlphaFold2 first in a prospective study using both proteins. The AI system presented 3D structures with a variety of possible ...

AlphaFold2 structures guide prospective ligand discovery | Science - X

AlphaFold2 structures guide prospective ligand discovery | Science https://t.co/4CsIrb51TE.

AlphaFold2 structures guide prospective ligand discovery - Altmetric

AlphaFold2 structures guide prospective ligand discovery. Overview of attention for article published in Science, June 2024. Altmetric Badge ...

AlphaFold2 can be an effective tool in structure-based drug discovery

... structure-based ligand discovery. But those studies analyzed the ... AlphaFold2 structures guide prospective ligand discovery. Science ...

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AlphaFold2 structures guide prospective ligand discovery | Science https://t.co/xYVMzsVK8c.

AlphaFold2 structures guide prospective ligand discovery - Altmetric

Click here to find out more. Title. AlphaFold2 structures guide prospective ligand discovery. Published in. Science, June 2024.

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AlphaFold2 structures guide prospective ligand discovery” Liu J, Kapolka N, Gummier R, Alon A, Wang L [..] Skiniotis G, Kruse AC, ...

AI could accelerate drug discovery. But only if we can trust it.

... structure-based ligand discovery. We were surprised to find ... AlphaFold2 structures guide prospective ligand discovery. Jiankun Lyu ...