| Prediction of protein allosteric signalling pathways and functional residues through paths of optimised propensity | Jul 14, 2022 | Drug Design | —Unverified | 0 |
| PrefixMol: Target- and Chemistry-aware Molecule Design via Prefix Embedding | Feb 14, 2023 | Drug DesignMulti-Task Learning | —Unverified | 0 |
| Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation | Mar 8, 2025 | Drug DesignGraph Generation | —Unverified | 0 |
| Pre-training of Graph Neural Network for Modeling Effects of Mutations on Protein-Protein Binding Affinity | Aug 28, 2020 | Drug DesignGraph Neural Network | —Unverified | 0 |
| Probabilistic thermal stability prediction through sparsity promoting transformer representation | Nov 10, 2022 | Drug Design | —Unverified | 0 |
| Protein-protein docking using a tensor train black-box optimization method | Feb 7, 2023 | Drug Design | —Unverified | 0 |
| Pushing the boundaries of Structure-Based Drug Design through Collaboration with Large Language Models | Mar 3, 2025 | Drug DesignDrug Discovery | —Unverified | 0 |
| Quadratic unconstrained binary optimization and constraint programming approaches for lattice-based cyclic peptide docking | Dec 13, 2024 | Drug Design | —Unverified | 0 |
| Quantitative Prediction of Protein-Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD | Aug 30, 2024 | Drug DesignFriction | —Unverified | 0 |
| Quantum-Inspired Machine Learning for Molecular Docking | Jan 22, 2024 | Blind DockingCombinatorial Optimization | —Unverified | 0 |
