repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"
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Updated
Jan 25, 2026 - Jupyter Notebook
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allosteric-communication
Here are 4 public repositories matching this topic...
Reveal protein energy centers.
science proteins structural-biology protein-structure molecular-dynamics drug-design biophysics biomolecular-dynamics protein-design allostery protein-dynamics biomolecule allosteric-predictions biomolecular-simulation allosteric-site allosteric-pockets biomolecular-structures allostery-network allosteric-communication
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Oct 2, 2025 - Python
Network models of protein conformational entropy from dynamics
proteins molecular-dynamics computational-biology computational-chemistry molecular-simulation biophysics molecular-biology allostery protein-protein-interaction protein-dynamics protein-disorder conformational-changes allostery-network protein-thermostability allosteric-communication
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Oct 25, 2025 - Python
AlloLab
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Updated
Feb 20, 2019 - Jupyter Notebook
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