DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Ha Young | ko |
dc.contributor.author | Kim, Sungsik | ko |
dc.contributor.author | Park, Woong-Yang | ko |
dc.contributor.author | Kim, Dongsup | ko |
dc.date.accessioned | 2023-12-09T05:01:30Z | - |
dc.date.available | 2023-12-09T05:01:30Z | - |
dc.date.created | 2023-12-08 | - |
dc.date.created | 2023-12-08 | - |
dc.date.issued | 2023 | - |
dc.identifier.citation | BIOINFORMATICS ADVANCES, v.3, no.1 | - |
dc.identifier.issn | 2635-0041 | - |
dc.identifier.uri | http://hdl.handle.net/10203/316123 | - |
dc.description.abstract | Motivation: Protein complex structure prediction is important for many applications in bioengineering. A widely used method for predicting the structure of protein complexes is computational docking. Although many tools for scoring protein-protein docking models have been developed, it is still a challenge to accurately identify near-native models for unknown protein complexes. A recently proposed model called the geometric vector perceptron-graph neural network (GVP-GNN), a subtype of equivariant graph neural networks, has demonstrated success in various 3D molecular structure modeling tasks. Results: Herein, we present G-RANK, a GVP-GNN-based method for the scoring of protein-protein docking models. When evaluated on two different test datasets, G-RANK achieved a performance competitive with or better than the state-of-the-art scoring functions. We expect G-RANK to be a useful tool for various applications in biological engineering. Contact: kds@kaist.ac.kr © 2023 The Author(s). Published by Oxford University Press. | - |
dc.language | English | - |
dc.publisher | OXFORD UNIV PRESS | - |
dc.title | G-RANK: an equivariant graph neural network for the scoring of protein-protein docking models | - |
dc.type | Article | - |
dc.identifier.scopusid | 2-s2.0-85153401520 | - |
dc.type.rims | ART | - |
dc.citation.volume | 3 | - |
dc.citation.issue | 1 | - |
dc.citation.publicationname | BIOINFORMATICS ADVANCES | - |
dc.identifier.doi | 10.1093/bioadv/vbad011 | - |
dc.contributor.localauthor | Kim, Dongsup | - |
dc.contributor.nonIdAuthor | Kim, Sungsik | - |
dc.contributor.nonIdAuthor | Park, Woong-Yang | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
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