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elastic-network-models
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Prediction of protein thermodynamic stability changes upon mutations through a Gaussian Network Model simulating protein unfolding behavior
protein-structureprotein-stabilityprediction-algorithmprotein-dynamicsnonsynonymousamino-acid-mutationelastic-network-models
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Feb 6, 2023 - Python
Open source library to work with elastic network models
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Feb 24, 2025 - Jupyter Notebook
Predicting allosteric and active site residues in proteins with machine learning and protein sequence, structure and dynamics features
machine-learningprotein-dynamicsrandom-forest-classifierallosteric-siteactive-siteselastic-network-models
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Aug 5, 2021 - MATLAB
Setup, run and analyse Adaptive MDeNM simulations on CHARMM
molecular-dynamicsmolecular-dynamics-simulationcharmmenhanced-samplingenmmolecular-modelingnormal-modesnormal-mode-analysiselastic-network-models
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Mar 7, 2025 - Shell
Setup and run aMDeNM simulations with Python
molecular-dynamicsmolecular-dynamics-simulationcharmmnamdenhanced-samplingenmmolecular-modelingnormal-modesnormal-mode-analysiselastic-network-models
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Mar 31, 2025 - Python
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