Luttens A

Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists.

Matricon P, Nguyen AT, Vo DD, ..., May LT, Carlsson J

Eur J Med Chem 257 (-) 115419 [2023-09-05; online 2023-05-01]

Jens Carlsson SciLifeLab Fellow

Rapid Traversal of Ultralarge Chemical Space using Machine Learning Guided Docking Screens

Luttens A, Cabeza de Vaca I, Sparring L, Norinder U, Carlsson J

- - (-) - [2023-05-10; online 2023-05-10]

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

Begnini F, Geschwindner S, Johansson P, ..., Schiesser S, Kihlberg J

J Med Chem 65 (4) 3473-3517 [2022-02-24; online 2022-02-02]

Jens Carlsson SciLifeLab Fellow

Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.

Luttens A, Gullberg H, Abdurakhmanov E, ..., Danielson UH, Carlsson J

Journal of the American Chemical Society 144 (7) 2905-2920 [2022-02-23; online 2022-02-10]

Jens Carlsson SciLifeLab Fellow

Publisher Correction: A practical guide to large-scale docking.

Bender BJ, Gahbauer S, Luttens A, ..., Irwin JJ, Shoichet BK

Nat Protoc 17 (1) 177 [2022-01-00; online 2021-12-11]

A practical guide to large-scale docking.

Bender BJ, Gahbauer S, Luttens A, ..., Irwin JJ, Shoichet BK

Nat Protoc 16 (10) 4799-4832 [2021-10-00; online 2021-09-24]

Jens Carlsson SciLifeLab Fellow