Bioinformatics | Immunology TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. June 26, 2024
Bioinformatics | Chemistry | Pharmacology ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. September 6, 2022
Chemistry | Computer Science Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. January 21, 2022
Drug design | Pharmaceutical research Comprehensive assessment of deep generative architectures for de novo drug design. December 20, 2021
Artificial Intelligence | Chemistry | Pharmacology Deep learning approaches for de novo drug design: An overview. November 25, 2021
Chemistry | Pharmaceutical Sciences DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. May 22, 2021
Computational Chemistry | Drug design DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. August 24, 2020