Bioinformatics | Biotechnology AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences. July 3, 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
Other Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. January 3, 2024
Other Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center. October 18, 2023
Bioinformatics | Chemistry MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions. February 27, 2023
Cheminformatics | Computer-Aided Drug Discovery SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation. February 16, 2023
Bioinformatics | Computational Biology | Drug Discovery ReMODE: a deep learning-based web server for target-specific drug design. December 12, 2022
Bioinformatics | Chemistry | Pharmacology ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. September 6, 2022
Bioinformatics | Pharmacology RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. June 17, 2022
Chemistry | Drug Discovery | Machine Learning | Pharmaceuticals Knowledge-based BERT: a method to extract molecular features such as computational chemists. April 19, 2022
Chemistry | Computer Science Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. January 21, 2022
Drug design | Pharmaceutical research Comprehensive assessment of deep generative architectures for de novo drug design. December 20, 2021