Jens Carlsson
Affiliations: | Institute for cell and molecular biology | Uppsala University, Uppsala, Uppsala län, Sweden |
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Children
Sign in to add trainee| Andreas Johan Luttens | grad student | 2017-2022 | Uppsala |
| Flavio Ballante | research scientist | 2017- | BMC Uppsala University |
Collaborators
Sign in to add collaborator| Kenneth A. Jacobson | collaborator | 2012- | Uppsala University, Sweden |
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Publications
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| Luttens A, Gullberg H, Abdurakhmanov E, et al. (2022) 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 |
| Begnini F, Geschwindner S, Johansson P, et al. (2022) Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. Journal of Medicinal Chemistry |
| Ballante F, Kooistra AJ, Kampen S, et al. (2021) Structure-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: What Can Molecular Docking Do for You? Pharmacological Reviews. 73: 527-565 |
| Bender BJ, Gahbauer S, Luttens A, et al. (2021) Publisher Correction: A practical guide to large-scale docking. Nature Protocols |
| Matricon P, Vo DD, Gao ZG, et al. (2021) Fragment-based design of selective GPCR ligands guided by free energy simulations. Chemical Communications (Cambridge, England) |
| Bender BJ, Gahbauer S, Luttens A, et al. (2021) A practical guide to large-scale docking. Nature Protocols |
| Kapla J, Rodríguez-Espigares I, Ballante F, et al. (2021) Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? Plos Computational Biology. 17: e1008936 |
| Kampen S, Duc Vo D, Zhang X, et al. (2021) Structure-guided Design of G Protein-coupled Receptor Polypharmacology. Angewandte Chemie (International Ed. in English) |
| Fleetwood O, Carlsson J, Delemotte L. (2021) Identification of ligand-specific G-protein coupled receptor states and prediction of downstream efficacy via data-driven modeling. Elife. 10 |
| Matricon P, Suresh RR, Gao Z, et al. (2021) Ligand design by targeting a binding site water Chemical Science. 12: 960-968 |