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allosteric-site

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

PKUMDL2017 / CavityPlus

A web server for protein cavity detection with pharmacophore modeling, allosteric site identification and covalent ligand binding ability prediction.

binding-cavity-detection pharmacophore-modelling allosteric-site covalent-ligands

Updated Apr 29, 2018

sambitmishra0628 / AR-PRED_source

Predicting allosteric and active site residues in proteins with machine learning and protein sequence, structure and dynamics features

machine-learning protein-dynamics random-forest-classifier allosteric-site active-sites elastic-network-models

Updated Aug 5, 2021
MATLAB

ClinuxMDL / CavityPlus

CavityPlus

binding-cavity-detection pharmacophore-modelling allosteric-site covalent-ligand

Updated Apr 24, 2018

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