AIMC Topic: MAP Kinase Kinase Kinases

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Adaptive Workflows of Machine Learning Illuminate the Sequential Operation Mechanism of the TAK1's Allosteric Network.

Biochemistry May 14, 2024
Allostery is a fundamental mechanism driving biomolecular processes that holds significant therapeutic concern. Our study rigorously investigates how two distinct machine-learning algorithms uniquely classify two already close-to-active DFG-in states...
Humans Machine Learning Algorithms Workflow Molecular Dynamics Simulation Protein Conformation Allosteric Regulation MAP Kinase Kinase Kinases
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Artificial Intelligence Captures Pseudo-Intelligence Evolved in the Chemical Architecture of the Multifaceted Signal Transducer, TAK1.

Journal of chemical information and modeling Jul 14, 2025
TAK1, a multifunctional kinase, possesses intramolecular interactions that are capacitated to recognize and process diverse forms of chemical and mechanical forces, which ultimately translate into a convergent catalytic function. By elucidating a dua...
Humans Artificial Intelligence Signal Transduction Protein Conformation Allosteric Regulation MAP Kinase Kinase Kinases
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