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allosteric-communication

Here are 4 public repositories matching this topic...

Dan-Burns / ChACRA

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

Updated Oct 2, 2025
Python

justktln2 / ciMIST

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

Updated Oct 25, 2025
Python

hyojin0912 / HJ-GPCRact

repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"

drug-discovery interpretable-machine-learning graph-neural-network gpcr allosteric-communication

Updated Dec 29, 2025
Jupyter Notebook

eguarnera / AlloLab

AlloLab

allostery allosteric-predictions allosteric-communication

Updated Feb 20, 2019
Jupyter Notebook

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