Atanas Patronov
AstraZeneca (Netherlands)(NL)AstraZeneca (Sweden)(SE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Protein Structure and Dynamics, Genetics, Bioinformatics, and Biomedical Research
Most-Cited Works
- → REINVENT 2.0: An AI Tool for De Novo Drug Design(2020)430 cited
- → T-cell epitope vaccine design by immunoinformatics(2013)425 cited
- → SMILES-based deep generative scaffold decorator for de-novo drug design(2020)206 cited
- → LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design(2021)84 cited
- → Link-INVENT: generative linker design with reinforcement learning(2023)82 cited
- → Transformer-based molecular optimization beyond matched molecular pairs(2022)78 cited
- → Structure-Aware Multimodal Deep Learning for Drug–Protein Interaction Prediction(2022)77 cited
- → DockStream: a docking wrapper to enhance de novo molecular design(2021)75 cited
- → Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach(2011)67 cited
- → EpiDOCK: a molecular docking-based tool for MHC class II binding prediction(2013)67 cited