Activation pathway of Src kinase reveals intermediate states as targets for drug design

Shukla, Diwakar, Meng, Yilin, Roux, Benoît, Pande, Vijay S.·2014·Nature Communications
DOI 10.1038/ncomms4397

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  11. Concestor kinase activation mechanism uncovers the cyclin dependence of CDK family kinases
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  12. Pathway mining in functional genomics: An integrative approach to delineate boolean relationships between Src and its targets
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  13. A Convergent Discretization Method for Transition Path Theory for Diffusion Processes
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  15. Faculty Opinions recommendation of Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
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  16. Computational Studies of Enzyme Motions
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  18. The impact of inhibitor size and flexibility on the binding pathways to c-Src kinase
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  19. Mapping allosteric pathway in NIa‐Pro using computational approach
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  20. Systematic exploration of multiple drug binding sites
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  21. The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A
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  24. Membrane Curvature Activates Src kinase and Promotes Metastatic Cancer Cell Survival
    Wei Zhang, He You, Xinzhi Zou, Chih‐Hao Lu, Xingyuan Zhang, Anna Amine, Zeinab Jahed, Michael Z. Lin, Bianxiao Cui · 2026 · bioRxiv (Cold Spring Harbor Laboratory)
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  27. Intrinsic noise suppression in protein allostery: Quantifying pathway redundancy via spanning tree statistics
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  30. In silico structure-based drug design for spinocerebellar ataxia 3 (SCA3)
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  31. Impact of Inhibitor Size and Flexibility on the Binding Pathways to c-Src Kinase
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  32. Conformational Sampling of CPT1A Enables Dynamic Structure-Based Ligand Screening
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  33. BindingDB Entry 50018463: Allosteric inhibitors of the STAT3 signaling pathway.
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  34. BindingDB Entry 50014760: Dynamics of Post-Translational Modification Inspires Drug Design in the Kinase Family.
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