Concepedia

An update for AlphaFold3 versus experimental structures: assessing the precision of small molecule binding in GPCRs

Shi-yi Shen, Yusong Wang, Shaoning Li, H. Eric Xu, Xinheng He

Acta Pharmacologica Sinica · 2025 · 11 citations · 24 references

DOI

Concepts

References

24

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Josh Abramson, Jonas Adler, Jack Dunger et al. · Nature · 2024 · 13.8K citations · Full text

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Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

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Activation and allosteric modulation of a muscarinic acetylcholine receptor

Andrew C. Kruse, Aaron M. Ring, Aashish Manglik et al. · Nature · 2013 · 909 citations · Full text

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Molecular recognition of morphine and fentanyl by the human μ-opioid receptor

Youwen Zhuang, Yue Wang, Bingqing He et al. · Cell · 2022 · 263 citations

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Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design

Shaoyong Lu, Xinheng He, Zhao Yang et al. · Nature Communications · 2021 · 222 citations · Full text

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