Jun 2026· Journal of Molecular Modeling· Vol 32· 0 citations· 55 references
Medicine
TL;DR
RGTBind, a graph transformer that combines multi-scale radial basis function distance encoding with a learnable threshold-gating mechanism to model spatially informative residue interactions, achieved the best F1, AUC, and MCC among the compared methods.
DeepPNI is a deep learning regression model that integrates sequence- and structure-based features to estimate mutation-induced changes in binding free energy in protein–nucleic acid complexes, developed using a comprehensive dataset of 1754 mutations spanning protein–DNA and protein–RNA complexes.
This work presents HGRL-PPIS, a novel hierarchical graph representation learning approach for predicting protein-protein interaction sites that achieves superior performance over competing methods on multiple benchmark datasets, enabling more reliable detection of protein-protein binding residues.
An innovative two-stage deep learning framework that combines residue-level graph representation learning with protein-level regression to achieve a thorough modeling of protein interactions and gives a better understanding of the structural processes that control PPI.
Oras A. Hussein, E. Al-Shamery· Journal of Intelligent Infor...· 0 citations
DHST is proposed, a deep hybrid structure–topology framework that integrates sequence semantics from a pretrained protein language model with local structural information learned by a residual graph convolutional network and introduces site-specific persistent homology to encode multi-scale topological invariants and a...
Bin Lu, Fujun Xiang, Hai-Long Wang et al.· Applied Sciences· 0 citations
This work introduces DNAreader, the first predictor specifically designed to predict DBRs in the structured and disordered sequence regions, and develops the DNAreaderDBIDR module, which accurately predicts DNA-binding IDRs, providing flexibility to identify DBRs within IDRs or to predict entire disordered DNA-binding...
This work proposes ARF-GNN, an adaptive receptive field graph neural network tailored for protein function prediction, which dynamically models structural context via hierarchical multi-hop neighborhood aggregation and introduces a dual-branch meta-learning framework.
Zhiqiang Hui, Weizhong Lu, Yi-Yi Xia et al.· Computational biology and ch...· 0 citations
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