Pengshan Cui

Yiming Gao, Liuyi Xu, Pengshan Cui et al.

Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational methods often struggle with suboptimal performance due to inadequate feature representation and rigid fusion mechanisms, which hinder the effective exploitation of cross-task information synergy. To bridge this gap, we propose MTGA-MGE, a framework that integrates a Multi-Task Genetic Algorithm with Multi-Granularity Encoding to enhance binding site prediction. Specifically, we develop a Multi-Granularity Encoding (MGE) network that synergizes multi-scale convolutions and self-attention mechanisms to distill discriminative signals from high-dimensional, redundant biological data. To overcome the constraints of static fusion, a genetic algorithm is employed to adaptively evolve task-specific fusion strategies, thereby effectively improving model generalization. Furthermore, to catalyze collaborative learning, we introduce an External-Neighborhood Mechanism (ENM) that leverages biological similarities to facilitate targeted information exchange across tasks. Extensive evaluations on fifteen nucleotide datasets demonstrate that MTGA-MGE not only establishes a new state-of-the-art in data-abundant, high-resource scenarios but also maintains a robust competitive edge in rare, low-resource regimes, presenting a highly adaptive scheme for decoding complex protein-ligand interactions in the post-genomic era.

Shaokuan Wang, Pengshan Cui, Yining Qian et al.

Intrinsically disordered regions of proteins play a crucial role in cell signaling and drug discovery. However, their high structural flexibility makes accurate residue-level prediction challenging. Existing methods often rely on single-view representations or rigid manual fusion strategies, which fail to effectively balance the complex interplay between local amino acid preferences and long-range sequence patterns. To address these limitations, we propose D2MOE, a Dual-View Multiscale Features and Multi-objective Evolutionary Algorithm, which consists of two stages. First, a dual-view multiscale feature extraction method is introduced. This method integrates evolutionary views with deep semantic views and employs multiscale extractors to capture structural information across diverse receptive fields. Second, a multi-objective evolutionary algorithm is designed to adaptively discover optimal fusion architectures. By co-evolving discrete feature selection and continuous fusion weights, the algorithm adaptively explores optimal cross-feature architectures to enhance predictive accuracy while maintaining model compactness. Experimental results across three benchmark datasets demonstrate that D2MOE consistently outperforms state-of-the-art methods. D2MOE combines the feature extraction capabilities of deep learning with the global search advantages of evolutionary algorithms, enabling efficient feature integration without manual design, and providing a robust computational tool for protein disorder prediction.