| Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows | Mar 6, 2025 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation | May 12, 2020 | Drug DesignGraph Neural Network | —Unverified | 0 | 0 |
| Interactivity: the missing link between virtual reality technology and drug discovery pipelines | Feb 8, 2022 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Interpretable Multimodal Learning for Tumor Protein-Metal Binding: Progress, Challenges, and Perspectives | Apr 4, 2025 | Drug Design | —Unverified | 0 | 0 |
| Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties | Oct 26, 2022 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Inverted repeats in coronavirus SARS-CoV-2 genome and implications in evolution | Nov 24, 2020 | Drug Design | —Unverified | 0 | 0 |
| Knowledge-aware contrastive heterogeneous molecular graph learning | Feb 17, 2025 | BenchmarkingContrastive Learning | —Unverified | 0 | 0 |
| Knowledge-based machine learning methods for macromolecular 3D structure prediction | Dec 13, 2016 | BIG-bench Machine LearningDrug Design | —Unverified | 0 | 0 |
| Knowledge graph-enhanced molecular contrastive learning with functional prompt | May 4, 2023 | Contrastive LearningDrug Design | —Unverified | 0 | 0 |
| Knowledge Guided Geometric Editing for Unsupervised Drug Design | Sep 29, 2021 | Drug Design | —Unverified | 0 | 0 |