| Deep learning model for efficient protein–ligand docking with implicit side-chain flexibility MR Masters, AH Mahmoud, Y Wei, MA Lill Journal of Chemical Information and Modeling 63 (6), 1695-1707, 2023 | 40 | 2023 |
| Deep learning model for flexible and efficient protein-ligand docking M Masters, AH Mahmoud, Y Wei, MA Lill ICLR2022 Machine Learning for Drug Discovery, 2022 | 13 | 2022 |
| Investigation of In Silico Studies for Cytochrome P450 Isoforms Specificity Y Wei, L Palazzolo, OB Mariem, D Bianchi, T Laurenzi, U Guerrini, ... Computational and Structural Biotechnology Journal, 2024 | 4 | 2024 |
| Atomistic description of the OCTN1 recognition mechanism via in silico methods O Ben Mariem, L Palazzolo, B Torre, Y Wei, D Bianchi, U Guerrini, ... Plos one 19 (6), e0304512, 2024 | 4 | 2024 |
| Comparison of Protein Design Tools For Engineering Non-heme Iron Dependent Dioxygenases Y Wei, L Palazzolo, T Laurenzi, U Guerrini, F Molinari, I Eberini 7th Cambridge machine learning and AI in bio(chemical) engineering conference, 2024 | | 2024 |
| In Silico Prediction Tools for Cytochrome P450 Isoform Specificity: A Comprehensive Review and Model Evaluation Y Wei, L Palazzolo, I Eberini MDPI, 2024 | | 2024 |
| In silico description of OCTN1 recognition mechanism and the role of sodium in substrate binding O Ben Mariem, L Palazzolo, U Guerrini, T Laurenzi, D Bianchi, Y Wei, ... | | 2024 |
| Deep Learning Approaches for Coarse-Grained Protein Models Y Wei University of Basel, 2022 | | 2022 |
| CypST: Improving Cytochrome P450 Substrates Prediction with Fine-Tuned Protein Language Model and Graph Attention Network Y Wei, U Guerrini, I Eberini | | |
| CypEGAT: A Deep Learning Framework Integrating Protein Language Model and Graph Attention Networks for Enhanced CYP450s Substrate Prediction Y Wei, U Guerrini, I Eberini 2nd AI4Research Workshop: Towards a Knowledge-grounded Scientific Research …, 0 | | |
