5 papers
Multi-Task Genetic Algorithm with Multi-Granularity Encoding for Protein-Nucleotide Binding Site Prediction
Yiming Gao, Liuyi Xu, Pengshan Cui +3
Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational metho…
LaPro-DTA: Latent Dual-View Drug Representations and Salient Protein Feature Extraction for Generalizable Drug--Target Affinity Prediction
Zihan Dun, Liuyi Xu, An-Yang Lu +2
Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios…
Co-Diffusion: An Affinity-Aware Two-Stage Latent Diffusion Framework for Generalizable Drug-Target Affinity Prediction
Yining Qian, Pengjie Wang, Yixiao Li +4
Predicting drug-target affinity is fundamental to virtual screening and lead optimization. However, existing deep models often suffer from representation collapse in stringent cold…
Enhanced Protein Intrinsic Disorder Prediction Through Dual-View Multiscale Features and Multi-objective Evolutionary Algorithm
Shaokuan Wang, Pengshan Cui, Yining Qian +2
Intrinsically disordered regions of proteins play a crucial role in cell signaling and drug discovery. However, their high structural flexibility makes accurate residue-level predi…
A Hierarchical Geometry-guided Transformer for Histological Subtyping of Primary Liver Cancer
Anwen Lu, Mingxin Liu, Yiping Jiao +4
Primary liver malignancies are widely recognized as the most heterogeneous and prognostically diverse cancers of the digestive system. Among these, hepatocellular carcinoma (HCC) a…