A deep learning method that identifies improved protein conformational states in trajectory data from refinement simulations
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Updated
Mar 3, 2018 - Python
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protein-refinement
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GNN-based protein structure refinement using JAX-differentiable kinematics to fit solution-state experimental data (SAXS/NMR).
bioinformatics structural-biology saxs nmr-spectroscopy jax differentiable-programming protein-refinement graph-neural-networks
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Updated
May 28, 2026 - Python
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