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Dataset . 2024
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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PPB-Affinity: Protein-Protein Binding Affinity dataset for AI-based protein drug discovery

Authors: Liu, Huaqing;

PPB-Affinity: Protein-Protein Binding Affinity dataset for AI-based protein drug discovery

Abstract

Prediction of protein-protein binding (PPB) affinity plays an important role in large-molecular drug discovery. Deep learning (DL) has been adopted to predict the change of PPB binding affinity upon mutation, but there was a scarcity of studies predicting the PPB affinity itself. The major reason is the paucity of open-source dataset concerning PPB affinity. Therefore, the current study aimed to introduce and disclose a PPB affinity dataset (PPB-Affinity), which will definitely benefit the development of applicable DL to predict the PPB affinity. The PPB-Affinity dataset contains key information such as crystal structures of protein-protein complexes (with or without protein mutation patterns), PPB affinity, receptor protein chain, ligand protein chain, etc. To the best of our knowledge, this is the largest and publicly available PPB-Affinity dataset, which may finally help the industry in improving the screening efficiency of discovering new large-molecular drugs. Files are orginized as follows: - PPB-Affinity.xlsx - PDB/ - Affinity Benchmark/ - file1.pdb - file2.pdb - ATLAS/ - PDBbindCN/ - SAbDab/ - SKEMPIv2.0/

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average