Ontology highlight
ABSTRACT:
SUBMITTER: Gu Y
PROVIDER: S-EPMC9860494 | biostudies-literature | 2023 Jan
REPOSITORIES: biostudies-literature
Gu Yuliang Y Zhang Xiangzhou X Xu Anqi A Chen Weiqi W Liu Kang K Wu Lijuan L Mo Shenglong S Hu Yong Y Liu Mei M Luo Qichao Q
iScience 20221228 1
Accurate prediction of protein-ligand binding affinity is crucial in structure-based drug design but remains some challenges even with recent advances in deep learning: (1) Existing methods neglect the edge information in protein and ligand structure data; (2) current attention mechanisms struggle to capture true binding interactions in the small dataset. Herein, we proposed SEGSA_DTA, a SuperEdge Graph convolution-based and Supervised Attention-based Drug-Target Affinity prediction method, wher ...[more]