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Transferability of Geometric Patterns from Protein Self-Interactions to Protein-Ligand Interactions
[article]
2021
bioRxiv
pre-print
There is significant interest in developing machine learning methods to model protein-ligand interactions but a scarcity of experimentally resolved protein-ligand structures to learn from. Protein self-contacts are a much larger source of structural data that could be leveraged, but currently it is not well understood how this data source differs from the target domain. Here, we characterize the 3D geometric patterns of protein self-contacts as probability distributions. We then present a
doi:10.1101/2021.10.01.462692
fatcat:qbeaetd3rfbjdoecgw5awmgpa4