Turbocharging protein binding site prediction with geometric attention, inter-resolution transfer learning, and homology-based augmentation
We believe that our contribution to the literature is twofold. Firstly, we introduce a novel computational method for binding site prediction with practical applications, substantiated by its strong performance across diverse benchmarks and case studies. Secondly, the innovative aspects in our method- specifically, the design of the model architecture, inter-resolution transfer learning, and homology-based augmentation-would serve as useful components for future work.
Authors
- Wonjun Hwang (ORCID: https://orcid.org/0000-0001-8895-0411)
- Daeseok Lee (ORCID: https://orcid.org/0000-0002-4548-2387)
- Jeunghyun Byun
- Bonggun Shin (ORCID: https://orcid.org/0000-0002-5133-0558)
Institutions
- SK Life Science (United States) (US)
- Deargen (South Korea) (KR)
Publication Details
- Journal
- BMC Bioinformatics
- Published
- 2024-09-20
- DOI
- https://doi.org/10.1186/s12859-024-05923-2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00