Johan Åqvist
Affiliations: | Uppsala University, Uppsala, Uppsala län, Sweden |
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Parents
Sign in to add mentor| Orlando Tapia-Olivares | grad student | 1983-1987 | Sveriges Lantbruks Universitet |
Children
Sign in to add trainee| Priyadarshi Satpati | post-doc | 2012-2014 | Uppsala |
| Mauricio Esguerra Neira | research scientist | 2015-2019 | Uppsala |
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Publications
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| Oanca G, van der Ent F, Åqvist J. (2023) Efficient Empirical Valence Bond Simulations with GROMACS. Journal of Chemical Theory and Computation. 19: 6037-6045 |
| Vanga SR, Åqvist J, Hallberg A, et al. (2021) Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Benzopyran-Based Inhibitors. Frontiers in Molecular Biosciences. 8: 625274 |
| Jespers W, Åqvist J, Gutiérrez-de-Terán H. (2021) Free Energy Calculations for Protein-Ligand Binding Prediction. Methods in Molecular Biology (Clifton, N.J.). 2266: 203-226 |
| Barlow N, Vanga SR, Sävmarker J, et al. (2020) Macrocyclic peptidomimetics as inhibitors of insulin-regulated aminopeptidase (IRAP). Rsc Medicinal Chemistry. 11: 234-244 |
| Jespers W, Verdon G, Azuaje J, et al. (2020) X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A Adenosine Receptor Antagonists. Angewandte Chemie (International Ed. in English) |
| Sočan J, Purg M, Åqvist J. (2020) Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme. Nature Communications. 11: 2644 |
| Engen K, Vanga SR, Lundbäck T, et al. (2020) Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro-Oxindole Dihydroquinazolinones as IRAP Inhibitors. Chemistryopen. 9: 325-337 |
| Ge X, Oliveira A, Hjort K, et al. (2019) Inhibition of translation termination by small molecules targeting ribosomal release factors. Scientific Reports. 9: 15424 |
| Kumar A, Åqvist J, Satpati P. (2019) Principles of tRNA Selection by Alanyl-tRNA Synthetase Based on the Critical G3·U70 Base Pair. Acs Omega. 4: 15539-15548 |
| Jespers W, Isaksen GV, Andberg TAH, et al. (2019) QresFEP: an automated protocol for the free energy calculation of protein mutations in Q. Journal of Chemical Theory and Computation |