Andreas Luttens

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Primary: Shown in the list of current labels.

Year 2025

PubMed DOI Crossref
A generative deep learning approach to de novo antibiotic design.
Krishnan A, Anahtar MN, Valeri JA, ..., Wong F, Collins JJ
Cell 188 (21) 5962-5979.e22 [2025-10-16; online 2025-08-14]
Andreas Luttens DDLS Fellow
PubMed DOI Crossref
Rapid traversal of vast chemical space using machine learning-guided docking screens.
Luttens A, Cabeza de Vaca I, Sparring L, ..., Norinder U, Carlsson J
Nat Comput Sci 5 (4) 301-312 [2025-04-00; online 2025-03-13]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
PubMed DOI Crossref
Virtual fragment screening for DNA repair inhibitors in vast chemical space.
Luttens A, Vo DD, Scaletti ER, ..., Helleday T, Carlsson J
Nat Commun 16 (1) 1741 [2025-02-18; online 2025-02-18]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

Year 2024

PubMed DOI Crossref
Structure-based virtual screening of vast chemical space as a starting point for drug discovery.
Carlsson J, Luttens A
Curr. Opin. Struct. Biol. 87 (-) 102829 [2024-08-00; online 2024-06-06]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

Year 2023

PubMed DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
PubMed DOI Crossref
Design of Drug Efficacy Guided by Free Energy Simulations of the β2 -Adrenoceptor.
Panel N, Vo DD, Kahlous NA, ..., Gmeiner P, Carlsson J
Angew. Chem. Int. Ed. Engl. 62 (22) e202218959 [2023-05-22; online 2023-04-20]
Andreas Luttens DDLS Fellow Jens Carlsson Lucie Delemotte SciLifeLab Fellow
DOI Crossref
Design of Drug Efficacy Guided by Free Energy Simulations of the β 2 ‐Adrenoceptor
Panel N, Vo DD, Kahlous NA, ..., Gmeiner P, Carlsson J
Angewandte Chemie 135 (22) - [2023-05-22; online 2023-04-20]
Andreas Luttens DDLS Fellow Jens Carlsson Lucie Delemotte SciLifeLab Fellow
DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

Year 2022

PubMed DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
PubMed DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
PubMed DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

Year 2021

PubMed DOI Crossref
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]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

Year 2020

DOI Crossref
Docking finds GPCR ligands in dark chemical matter
Rudling A, Luttens A, Kihlberg J, ..., Brea J, Zeifman A
- - (-) - [2020-10-31; online 2020-10-31]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
PubMed DOI Crossref
Docking Finds GPCR Ligands in Dark Chemical Matter.
Ballante F, Rudling A, Zeifman A, ..., Loza MI, Carlsson J
J Med Chem 63 (2) 613-620 [2020-01-23; online 2020-01-13]
Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow
SciLifeLab Data Centre
Publications 9.5.1