Bioinformatics | Computational Biology | Structural Biology All-Atom Protein Sequence Design Based on Geometric Deep Learning. September 19, 2024
Computer Science | Drug Discovery Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning. June 28, 2024
Bioinformatics | Pharmaceutical Sciences DiffBindFR: an SE(3) equivariant network for flexible protein-ligand docking. May 31, 2024
Bioinformatics | Computational Biology | Proteomics Hierarchical Graph Transformer with Contrastive Learning for Protein Function Prediction. June 27, 2023
Bioinformatics | Computational Biology | Drug Development QuoteTarget: A sequence-based transformer protein language model to identify potentially druggable protein targets. December 24, 2022
Drug Development | Virology Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen. November 1, 2022
Chemistry | Computer Science | Pharmaceutical Sciences Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. May 11, 2022
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Structure-based drug design using 3D deep generative models. November 11, 2021
Bioinformatics | Drug Discovery | Pharmacology A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2. June 3, 2021
Bioinformatics | Molecular Biology Sequence-based prediction of protein protein interaction using a deep-learning algorithm. January 12, 2019