Bioinformatics | Biotechnology AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences. July 3, 2024
Bioinformatics | Immunology TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. June 26, 2024
Computational Biology | Drug Discovery Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. April 17, 2024
Bioinformatics | Computational Biology | Pharmacology Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening. April 5, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. February 1, 2024
Bioinformatics | Computational Biology | Proteomics CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training. January 26, 2024
Chemical Engineering | Pharmaceutical Sciences Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning. January 12, 2024
Biomedical Informatics | Drug design | Pharmaceutical Sciences RediscMol: Benchmarking Molecular Generation Models in Biological Properties. January 5, 2024
Bioinformatics | Drug Discovery Efficient and accurate large library ligand docking with KarmaDock. January 4, 2024
Other Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. January 3, 2024
Chemistry | Drug design | Pharmacology A flexible data-free framework for structure-based drug design with reinforcement learning. November 16, 2023
Other Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center. October 18, 2023