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.

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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
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article

Turbocharging protein binding site prediction with geometric attention, inter-resolution transfer learning, and homology-based augmentation

Wonjun Hwang, Daeseok Lee, Jeunghyun Byun, Bonggun Shin
BMC Bioinformatics
Computational Drug Discovery Methods
article

Turbocharging protein binding site prediction with geometric attention, inter-resolution transfer learning, and homology-based augmentation

Wonjun Hwang, Daeseok Lee, Jeunghyun Byun, Bonggun Shin
article en

Abstract

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.

BMC BioinformaticsVol. 25(1)
SK Life Science (United States) (US), Deargen (South Korea) (KR)
Openalex Percentile: Top 81%
Computational Drug Discovery Methods
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