From Fragments to Drugs: How AI and In Silico Methods Accelerate Fragment-to-Lead Optimization
- Elnaz Aledavood
- Jannis Born
- et al.
- 2026
- European Journal Of Medicinal Chemistry
Paper
Publications
38 results for Jannis Born
AI-assisted fragment-based drug discovery of SARS-CoV-2 macrodomain binders validated by NMR and X-ray crystallography
- Elnaz Aledavood
- Sandra Ramos
- et al.
- 2026
- Communications Chemistry
PaperConditional Monge Gap enables generalizable single-cell perturbation modelling
- Alice Driessen
- Dhruva Abhijit Rajwade
- et al.
- 2026
- Nature Machine Intelligence
PaperModeling Chimeric Antigen Receptor Response at the Single-Cell Level with Conditional Optimal Transport
- Alice Driessen
- Jannis Born
- et al.
- 2026
- Cell Systems
PaperQuantum Doubly Stochastic Transformers
- Jannis Born
- Filip Skogh
- et al.
- 2025
- NeurIPS 2025
Conference paperRegress, Don't Guess: A Regression-like Loss on Number Tokens for Language Models
- Jonas Zausinger
- Lars Pennig
- et al.
- 2025
- ICML 2025
Conference paperMultiscale Byte Language Models -- A Hierarchical Architecture for Causal Million-Length Sequence Modeling
- Eric Egli
- Matteo Manica
- et al.
- 2025
- ICML 2025
Workshop paperRegress, Don’t Guess – A Regression-like Loss on Number Tokens for Language Models
- Jonas Zausinger
- Lars Pennig
- et al.
- 2024
- NeurIPS 2024
Workshop paperQuantum Theory and Application of Contextual Optimal Transport
- Nicola Mariella
- Albert Akhriev
- et al.
- 2024
- ICML 2024
Conference paperLearning Drug Perturbations via Conditional Map Estimators
- Benedek Harsanyi
- Marianna Rapsomaniki
- et al.
- 2024
- ICLR 2024
Workshop paper