Year |
Citation |
Score |
2023 |
Matricon P, Nguyen AT, Vo DD, Baltos JA, Jaiteh M, Luttens A, Kampen S, Christopoulos A, Kihlberg J, May LT, Carlsson J. Structure-based virtual screening discovers potent and selective adenosine A receptor antagonists. European Journal of Medicinal Chemistry. 257: 115419. PMID 37301076 DOI: 10.1016/j.ejmech.2023.115419 |
0.634 |
|
2023 |
Panel N, Vo DD, Kahlous NA, Hübner H, Tiedt S, Matricon P, Pacalon J, Fleetwood O, Kampen S, Luttens A, Delemotte L, Kihlberg J, Gmeiner P, Carlsson J. Design of Drug Efficacy Guided by Free Energy Simulations of the β2-Adrenoceptor. Angewandte Chemie (International Ed. in English). e202218959. PMID 36914577 DOI: 10.1002/anie.202218959 |
0.599 |
|
2023 |
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J. Correction to "Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction". Journal of Medicinal Chemistry. PMID 36701206 DOI: 10.1021/acs.jmedchem.3c00037 |
0.541 |
|
2022 |
Luttens A, Gullberg H, Abdurakhmanov E, Vo DD, Akaberi D, Talibov VO, Nekhotiaeva N, Vangeel L, De Jonghe S, Jochmans D, Krambrich J, Tas A, Lundgren B, Gravenfors Y, Craig AJ, et al. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. Journal of the American Chemical Society. 144: 2905-2920. PMID 35142215 DOI: 10.1021/jacs.1c08402 |
0.628 |
|
2022 |
Begnini F, Geschwindner S, Johansson P, Wissler L, Lewis RJ, Danelius E, Luttens A, Matricon P, Carlsson J, Lenders S, König B, Friedel A, Sjö P, Schiesser S, Kihlberg J. Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. Journal of Medicinal Chemistry. PMID 35108001 DOI: 10.1021/acs.jmedchem.1c01975 |
0.578 |
|
2021 |
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Publisher Correction: A practical guide to large-scale docking. Nature Protocols. PMID 34887579 DOI: 10.1038/s41596-021-00650-x |
0.552 |
|
2021 |
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. A practical guide to large-scale docking. Nature Protocols. PMID 34561691 DOI: 10.1038/s41596-021-00597-z |
0.644 |
|
2019 |
Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea JM, Loza MI, Carlsson J. Docking finds GPCR ligands in dark chemical matter. Journal of Medicinal Chemistry. PMID 31846328 DOI: 10.1021/Acs.Jmedchem.9B01560 |
0.648 |
|
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