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Tag: protein-folding/structure-prediction
10 items with this tag.
Apr 21, 2026
Diffusion-based structure prediction can be steered by modifying the conditioning embeddings rather than the latent space, and such embeddings can be used for subsequent iterations
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
Apr 21, 2026
Diffusion-based protein structure prediction methods double as energy methods comparable to traditional force fields
diffusion-models/structure-prediction
protein-folding/structure-prediction
Apr 21, 2026
Diffusion-based structure prediction can sometimes model conformational ensembles
diffusion-models/structure-prediction
protein-folding/structure-prediction
tm-score
Apr 21, 2026
Enhanced diffusion with metadynamics-like potentials can sometimes convergence slower than unbiased diffusion
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
Apr 21, 2026
Ensembles can be modeled by structure prediction NNs using experimental data via guidance sampling
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
Apr 21, 2026
Protein backbone design diffusion models can be repurposed for fitting structures into electron density
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
Apr 21, 2026
Flow matching and diffusion perform comparably for biomolecular structure prediction
alphafold3
diffusion-models/structure-prediction
protein-folding/structure-prediction
structure-prediction/architecture
plddt
Apr 21, 2026
Biomolecular diffusion models cannot reproduce the equilibrium dynamics of the simulations they are trained on
diffusion-models/structure-prediction
protein-folding/structure-prediction
conformational-dynamics/modeling
Apr 21, 2026
Confidence metrics for diffusion-based structure prediction methods can be improved with minimal changes to conditioning representations
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
structure-prediction/metrics
tm-score
plddt
Apr 21, 2026
Guidance potentials can be added to diffusion-based structure prediction for enhanced sampling of protein conformations
diffusion-models/structure-prediction
diffusion-guidance/structure-prediction
protein-folding/structure-prediction
structure-prediction/sampling
conformational-dynamics/modeling