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Updated: Jun 26, 2025

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
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Published on: May 29, 2021

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AlphaFold2構造は,将来のリガンド発見を導く

Jiankun Lyu1,2, Nicholas Kapolka3, Ryan Gumpper3

  • 1Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.

Science (New York, N.Y.)
|May 16, 2024
PubMed
まとめ

AlphaFold2モデルは,リガンド結合部位を正確に予測することで,薬剤発見の有望性を示しています. この研究は,重要な受容体に対する新薬候補の潜在的ドッキングの有効性を示しています.

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Ligand Binding Sites02:40

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Conserved Binding Sites

Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
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The Equilibrium Binding Constant and Binding Strength

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