Ontology highlight
ABSTRACT:
SUBMITTER: Koehl A
PROVIDER: S-EPMC8669734 | biostudies-literature | 2022
REPOSITORIES: biostudies-literature
Koehl Antoine A Jagota Milind M Erdmann-Pham Dan D DD Fung Alexander A Song Yun S YS
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing 20220101
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 flexib ...[more]