6 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…
Multi-objective Genetic Programming with Multi-view Multi-level Feature for Enhanced Protein Secondary Structure Prediction
Yining Qian, Lijie Su, Meiling Xu +1
Predicting protein secondary structure is essential for understanding protein function and advancing drug discovery. However, the intricate sequence-structure relationship poses si…
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…
CORE-Acu: Structured Reasoning Traces and Knowledge Graph Safety Verification for Acupuncture Clinical Decision Support
Liuyi Xu, Yun Guo, Ming Chen +5
Large language models (LLMs) show significant potential for clinical decision support (CDS), yet their black-box nature -- characterized by untraceable reasoning and probabilistic…
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…