PDBbind database
PulseAugur coverage of PDBbind database — every cluster mentioning PDBbind database across labs, papers, and developer communities, ranked by signal.
1 day(s) with sentiment data
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New Harmonic Torsional Diffusion Framework Enhances Protein-Ligand Docking
Researchers have developed Harmony, a new framework for protein-ligand flexible docking that explicitly accounts for the periodic geometry of angular variables. Unlike previous diffusion-based models that use generic Eu…
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New AI framework enhances trustworthy protein-ligand binding affinity prediction
Researchers have developed RELIABLE-BA, a novel framework for predicting protein-ligand binding affinity that enhances trustworthiness in computational drug discovery. This evidential approach models docking engines as …
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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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New h-MINT model improves drug discovery binding affinity prediction
Researchers have developed h-MINT, a novel hierarchical molecular interaction network designed to improve drug discovery by better representing molecular fragments. This approach uses an OverlapBPE tokenization method t…
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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…