Andreas Luttens

8PUBLICATIONS
45CO-AUTHORS
Deep learningComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designSite-based writing
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Publications (8)

|Jun 17, 2026
Deep learning-enabled discovery of antibiotics effective against Neisseria gonorrhoeae.

|Mar 06, 2026
Guiding molecular design with flow models.

Andreas Luttens

|Mar 14, 2025
Rapid traversal of vast chemical space using machine learning-guided docking screens.

Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring

|Feb 18, 2025
Virtual fragment screening for DNA repair inhibitors in vast chemical space.

Andreas Luttens, Duc Duy Vo, Emma R Scaletti

|Feb 10, 2022
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.

Andreas Luttens, Hjalmar Gullberg, Eldar Abdurakhmanov

|Feb 02, 2022
Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

Fabio Begnini, Stefan Geschwindner, Patrik Johansson

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Frequent Collaborators

4 joint publications

Jens Carlsson

3 joint publications

Jan Kihlberg

2 joint publications

Stefan Gahbauer

2 joint publications

Trent E Balius