Kihlberg J

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

Fragment-based design of selective GPCR ligands guided by free energy simulations.

Matricon P, Vo DD, Gao ZG, ..., Jacobson KA, Carlsson J

Chem. Commun. (Camb.) 57 (92) 12305-12308 [2021-11-19; online 2021-11-19]

Jens Carlsson SciLifeLab Fellow

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]

Jens Carlsson SciLifeLab Fellow