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
808 results for Life Sciences
A Quantum Reservoir for Neurodynamical Forecasting
- Annemarie Wolff
- Guillaume Dumas
- et al.
- 2026
- QCE 2026
Short paperPeptidomics mapping of proteolysis highlights triple activation of sprouted seeds by germination, homogenisation and species mixture
- Indrani Bera
- Raúl Fernández Díaz
- et al.
- 2026
- FoodChem
PaperAgentic AI for screening ligand-target binding affinity
- 2026
- ISMB 2026
PosterQuantum Ensemble Models for Healthcare and Life Science
- Kahn Rhrissorrakrai
- Kathleen Hamilton
- et al.
- 2026
- Briefings in Bioinformatics
PaperMAMMAL - Molecular Aligned Multi-Modal Architecture and Language
- Yoel Shoshan
- Moshiko Raboh
- et al.
- 2026
- NPJ Drug Discov.
PaperUnsupervised Cycle Detection in Agentic Applications
- Felix George
- Divya Pathak
- et al.
- 2026
- ICPE 2026
Short paperModeling Chimeric Antigen Receptor Response at the Single-Cell Level with Conditional Optimal Transport
- Alice Driessen
- Jannis Born
- et al.
- 2026
- Cell Systems
PaperTool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- Leili Zhang
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkPrincipled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- Partha Suryanarayanan
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
Talk