| Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations | May 13, 2015 | Drug Design | —Unverified | 0 |
| CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models | Apr 2, 2020 | AttributeDrug Design | —Unverified | 0 |
| Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization | May 22, 2025 | Drug DesignPose Prediction | —Unverified | 0 |
| GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks | Nov 28, 2023 | Drug Designmolecular representation | —Unverified | 0 |
| tFold-TR: Combining Deep Learning Enhanced Hybrid Potential Energy for Template-Based Modeling Structure Refinement | May 10, 2021 | Drug DesignProtein Structure Prediction | —Unverified | 0 |
| The known unknowns of the Hsp90 chaperone | Aug 31, 2023 | Drug DesignKnown Unknowns | —Unverified | 0 |
| The recent advances in the mathematical modelling of human pluripotent stem cells | Sep 23, 2019 | Drug Design | —Unverified | 0 |
| The Structural Biology and Critical Evaluation of Bacterial Proteases as Targets in New Drug Design | Jun 3, 2014 | Drug DesignSpecificity | —Unverified | 0 |
| Token-Mol 1.0: Tokenized drug design with large language model | Jul 10, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Towards Efficient Molecular Property Optimization with Graph Energy Based Models | Feb 17, 2025 | Drug Design | —Unverified | 0 |
