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Assessing generative model coverage of protein structures with SHAPES
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AI
DOI：10.1016/j.cels.2025.101347.png)
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Abstract
En 中文
• Protein structure generative models do not fully cover observed structural elements • Biased sampling exists at all hierarchies of protein structure • Increasing sampling temperature does not always lead to better coverage • Functional tertiary motifs are underrepresented in sampled structures
Keywords:
protein structure
generative models
sampling bias
tertiary motifs
structural coverage