实体
PDBbind database
PDBbind database
PulseAugur coverage of PDBbind database — every cluster mentioning PDBbind database across labs, papers, and developer communities, ranked by signal.
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最近 · 第 1/1 页 · 共 3 条
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New framework improves protein-ligand binding prediction
Researchers have developed HCLBind, a new self-supervised framework designed to improve the prediction of protein-ligand binding affinity, particularly for complex multi-domain proteins. This method decouples representa…
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新的h-MINT模型改进了药物发现中的结合亲和力预测
研究人员开发了h-MINT，一种新颖的分层分子相互作用网络，旨在通过更好地表示分子片段来改进药物发现。该方法使用OverlapBPE标记化方法，允许片段重叠并捕获比传统原子级图更丰富的化学背景。h-MINT模型有效地模拟了原子和片段两个层面的相互作用，从而显著提高了结合亲和力预测和虚拟筛选的准确性。
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HBGSA model uses hydrogen bond graph and self-attention for drug-target binding prediction
Researchers have developed HBGSA, a new 3.06M-parameter model designed to improve the prediction of drug-target binding affinity. This model addresses limitations in existing methods by incorporating spatial geometric c…