ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks

Shen, Qiancheng, Wang, Guanqiao, Li, Shuai, Liu, Xinyi, Lu, Shaoyong, Chen, Zhongjie, Song, Kun, Yan, Junhao, Geng, Lv, Huang, Zhimin, Huang, Wenkang, Chen, Guoqiang, Zhang, Jian·2016·Nucleic Acids Research
DOI 10.1093/nar/gkv902

Cited by (124)

Items 101–124 of 124

  1. Structural insight with mutational impact on tyrosinase and PKC-β interaction from Homo sapiens : Molecular modeling and docking studies for melanogenesis, albinism and increased risk for melanoma
    Arundhati Banerjee, Sujay Ray · 2016 · Gene
  2. Discovery of Positive Allosteric Modulators of α 7 nAChR by an Ensemble-based Virtual Screening Method, Molecular Dynamics Simulation, and in vitro Biological Activity Testing
    Peiran Meng, Wenjun Mu, Daobo Ding, Huan Chen, Zhaohui Li, Hongwei Hou, Qingyuan Hu · 2024 · Journal of Computational Biophysics and Chemistry
  3. Design and synthesis of ( E )-3-benzylideneindolin-2-one derivatives as potential allosteric inhibitors of Aurora A kinase
    YongLai Jiao, Jie Zhong, Jinfang Xu, Shaobo Ning, Taigang Liang, Mingzhu Zhao, Jian Zhang · 2024 · RSC Medicinal Chemistry
  4. Structural changes of homodimers in the PDB
    Ryotaro Koike, Takayuki Amemiya, Tatsuya Horii, Motonori Ota · 2017 · Journal of Structural Biology
  5. Assessing structural uncertainty of biochemical regulatory networks in metabolic pathways under varying data quality
    Yue Han, Mark P. Styczynski · 2024 · npj Systems Biology and Applications
  6. Methods Applied for the Allosteric Site Revelation
    Duan Ni, Shaoyong Lu, Jian Zhang · 2018 · Wiley eBooks
  7. AlloEF: An Ensemble Model for Protein Allosteric Site Identification Based on Transfer Entropy and Energetic Frustration
    Jilong Zhang, Xiaohan Sun, Zhixiang Wu, Jingjie Su, Xinyu Zhang, Chunhua Li · 2026 · The Journal of Physical Chemistry B
  8. Effect of allosteric molecules on structure and drug affinity of HIV-1 protease by molecular dynamics simulations
    Xianmei Meng, Wei-Jun Hu, Yuguang Mu, X. D. Sheng · 2016 · Journal of Molecular Graphics and Modelling
  9. Structural studies and drug discovery of G protein-coupled receptors
    Zhenlin Yang, Beili Wu · 2018 · Chinese Science Bulletin (Chinese Version)
  10. Single Binding Pockets Versus Allosteric Binding
    Kun Song, Jian Zhang · 2018 · Methods in molecular biology
  11. Functional cross-talk between allosteric effects of activating and inhibiting ligands underlies PKM2 regulation
    Jamie A. Macpherson, Alina Theisen, Laura Masino, Louise Fets, Paul C. Driscoll, Vesela Encheva, Ambrosius P. Snijders, Stephen R. Martin, Jens Kleinjung, Perdita E. Barran et al. · 2018 · bioRxiv (Cold Spring Harbor Laboratory)
  12. Leveraging machine learning for selective cannabinoid ligand discovery: methods, challenges, and opportunities
    Bailang Liu, Jie Liu, Wenjing Guo, Ann Varghese, Menghang Xia, Ruili Huang, Tucker A. Patterson, Huixiao Hong · 2026 · Expert Opinion on Drug Discovery
  13. A Unifying Approach to the Duality of “Energetic”Versus“Conformational” Formulations of Allosteric Coupling: Mechanistic Implications for GPCR Allostery
    H. Ongun Onaran, Tommaso Costa · 2016 · Royal Society of Chemistry eBooks
  14. Data-Driven Insights into Ligands, Proteins, and Genetic Mutations.
    Jing Lü · 2016 · Deep Blue (University of Michigan)
  15. Prediction of allosteric sites and signalling: insights from benchmarking datasets
    Nan Wu, Léonie Strömich, Sophia N. Yaliraki · 2021 · bioRxiv (Cold Spring Harbor Laboratory)
  16. Context-Dependent Flux Coupling via Conserved Small-Molecule Regulatory Structures
    Christian Euler, Radhakrishnan Mahadevan · 2021 · bioRxiv (Cold Spring Harbor Laboratory)
  17. Faculty Opinions recommendation of Functional characterization of 3D protein structures informed by human genetic diversity.
    Emidio Capriotti · 2019 · Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature
  18. An Ensemble Model for Protein Allosteric Site Prediction
    仕杰 乔 · 2024 · Biophysics
  19. Allosteric Site Prediction Using Protein Language Models and Orthosteric Conditioning
    R. Charlotte Eccleston, Nicholas Furnham · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
  20. Identification of potential allosteric inhibitors-modulators for the heterodimer CDC34-UBC protein-protein complex
    Hemchandra Deka, Heba Taha M. Abdelghani, Aditi Gangopadhyay, Atul Darasing Pawar, Pritee Chunarkar Patil, Shovonlal Bhowmick · 2026 · 3 Biotech
  21. Systematic Profiling of Encoder Architectures and Multimodal Embeddings in Protein Foundation Models Reveals Data Set-Driven Separability Regimes in Prediction of Allosteric and Orthosteric Binding Sites
    Alina Bazarova, Gennady M. Verkhivker · 2026 · Journal of Chemical Information and Modeling
  22. BindingDB Entry 50012589: Screening and biological evaluation of a novel STAT3 signaling pathway inhibitor against cancer.
    BindingDB · 2022 · UC San Diego
  23. BindingDB Entry 50009378: Allosteric Modulator Discovery: From Serendipity to Structure-Based Design.
    BindingDB · 2021 · UC San Diego
  24. BindingDB Entry 50010244: Non-canonical modulators of nuclear receptors.
    BindingDB · 2021 · UC San Diego