Unraveling structural mechanisms of allosteric drug action
Nussinov, Ruth, Tsai, Chung-Jung·2014·Trends in Pharmacological Sciences
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- Synthesis and kinetic characterization of hyperbolic inhibitors of human cathepsins K and S based on a succinimide scaffoldTjaša Goričan, Luka Ciber, Nejc Petek, Jurij Svete, Marko Novinec · 2021 · Bioorganic Chemistry
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- DeorphaNN: Virtual screening of GPCR peptide agonists using AlphaFold-predicted active-state complexes and deep learning embeddingsLarissa Ferguson, Sébastien Ouellet, Elke Vandewyer, Christopher Wang, Zaw Wunna, Tony K.Y. Lim, William R Schafer, Isabel Beets · 2026 · Molecular Cell
- Tandem Domains with Tuned Interactions Are a Powerful Biological Design PrincipleRuth Nussinov, Chung‐Jung Tsai · 2015 · PLoS Biology
- Single Binding Pockets Versus Allosteric BindingKun Song, Jian Zhang · 2018 · Methods in molecular biology
- Insights into the Allosteric Regulation of Human Hsp90 Revealed by NMR SpectroscopyTjaša Goričan, Simona Golič Grdadolnik · 2024 · Biomolecules
- PROTEINATOR: Web-UI exploring repurposing hypotheses of PROTEIN InhibiTORs based on protein interactionsSanthosh Tangadu, Susmitha Shankar, Bhaskaram V. Varanasi, Prashanth Athri · 2019 · bioRxiv (Cold Spring Harbor Laboratory)
- Editor's evaluation: Coevolution-based prediction of key allosteric residues for protein function regulationShozeb M Haider · 2022 · eLife
- MD Multi-Sector Selector: Recursive Extraction and Refinement of Molecular Dynamics Based Sectors Yields Two Sectors in p53 Tumor Suppressor ProteinChristopher A. Chiu, Sean Stetson, Kelly M. Thayer · 2025 · The Journal of Physical Chemistry B
- Multiclass Machine Learning-Based Discovery of Novel Scaffold Inhibitors Targeting ALKMd Azizul Haque, Qazi Mohammad Sajid Jamal, Khurshid Ahmad, Reem Binsuwaidan, Nawaf Alshammari, Mοhd Saeed, Jong-Joo Kim, Danishuddin · 2026 · Pharmaceuticals
- BindingDB Entry 7679: Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity.BindingDB · 2017 · UC San Diego
- BindingDB Entry 7515: Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.BindingDB · 2016 · UC San Diego