Bioinformatics | Structural Biology Exploring the Conformational Ensembles of Protein-Protein Complex with Transformer-Based Generative Model. May 30, 2024
Drug Discovery | Pharmaceutical Sciences Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge. May 15, 2024
Medicine | Nanotechnology HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small Molecules. May 5, 2024
Biomedical imaging | Drug design | Molecular Biology Dual-View Learning Based on Images and Sequences for Molecular Property Prediction. December 28, 2023
Pharmacology A general hypergraph learning algorithm for drug multi-task predictions in micro-to-macro biomedical networks. November 13, 2023
Drug Development | Organic Chemistry Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks. October 3, 2023
Biomedical Informatics | Pharmacology Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction. July 4, 2023
Bioinformatics | Molecular Biology | Structural Biology PointDE: Protein Docking Evaluation Using 3D Point Cloud Neural Network. May 23, 2023
Bioinformatics | Drug Discovery | Pharmaceuticals Deep generative model for drug design from protein target sequence. March 28, 2023
Bioinformatics | Computational Biology | Molecular Biology Machine learning on protein-protein interaction prediction: models, challenges and trends. March 7, 2023
Bioinformatics | Genomics Graph embedding and Gaussian mixture variational autoencoder network for end-to-end analysis of single-cell RNA sequencing data. February 23, 2023
Artificial Intelligence | Computational Chemistry | Pharmacology Deep generative molecular design reshapes drug discovery. October 28, 2022