Ågren H - Search Results

1

Exploring the Interactions between two Ligands, UCB-J and UCB-F, and Synaptic Vesicle Glycoprotein 2 Isoforms.

Li J, Zou R, Varrone A, Nag S, Halldin C, Ågren H. Li J, et al. Among authors: agren h. ACS Chem Neurosci. 2024 May 15;15(10):2018-2027. doi: 10.1021/acschemneuro.4c00029. Epub 2024 May 3. ACS Chem Neurosci. 2024. PMID: 38701380 Free PMC article.

2

The Culprit Is in the Cave: The Core Sites Explain the Binding Profiles of Amyloid-Specific Tracers.

Murugan NA, Halldin C, Nordberg A, Långström B, Ågren H. Murugan NA, et al. Among authors: agren h. J Phys Chem Lett. 2016 Sep 1;7(17):3313-21. doi: 10.1021/acs.jpclett.6b01586. Epub 2016 Aug 12. J Phys Chem Lett. 2016. PMID: 27498616

3

Multistep Modeling Strategy To Improve the Binding Affinity Prediction of PET Tracers to Aβ₄₂: Case Study with Styrylbenzoxazole Derivatives.

Balamurugan K, Murugan NA, Ågren H. Balamurugan K, et al. Among authors: agren h. ACS Chem Neurosci. 2016 Dec 21;7(12):1698-1705. doi: 10.1021/acschemneuro.6b00216. Epub 2016 Sep 29. ACS Chem Neurosci. 2016. PMID: 27626391

4

Theoretical study of the binding profile of an allosteric modulator NS-1738 with a chimera structure of the α7 nicotinic acetylcholine receptor.

Kuang G, Wang X, Halldin C, Nordberg A, Långström B, Ågren H, Tu Y. Kuang G, et al. Among authors: agren h. Phys Chem Chem Phys. 2016 Oct 12;18(40):28003-28009. doi: 10.1039/c6cp02278b. Phys Chem Chem Phys. 2016. PMID: 27711412

5

Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies.

Balamurugan K, Murugan NA, Långström B, Nordberg A, Ågren H. Balamurugan K, et al. Among authors: agren h. ACS Chem Neurosci. 2017 Dec 20;8(12):2655-2666. doi: 10.1021/acschemneuro.7b00215. Epub 2017 Oct 3. ACS Chem Neurosci. 2017. PMID: 28898051

6

Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling.

Murugan NA, Nordberg A, Ågren H. Murugan NA, et al. Among authors: agren h. ACS Chem Neurosci. 2018 Jul 18;9(7):1757-1767. doi: 10.1021/acschemneuro.8b00093. Epub 2018 May 2. ACS Chem Neurosci. 2018. PMID: 29630333

7

Free Energy Profile for Penetration of Pittsburgh Compound-B into the Amyloid β Fibril.

Zou R, Kuang G, Ågren H, Nordberg A, Långström B, Tu Y. Zou R, et al. Among authors: agren h. ACS Chem Neurosci. 2019 Mar 20;10(3):1783-1790. doi: 10.1021/acschemneuro.8b00662. Epub 2019 Feb 11. ACS Chem Neurosci. 2019. PMID: 30698013

8

Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes.

Zhou Y, Zou R, Kuang G, Långström B, Halldin C, Ågren H, Tu Y. Zhou Y, et al. Among authors: agren h. J Chem Inf Model. 2019 Sep 23;59(9):3910-3918. doi: 10.1021/acs.jcim.9b00523. Epub 2019 Sep 10. J Chem Inf Model. 2019. PMID: 31454236

9

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2.

Zou R, Zhou Y, Wang Y, Kuang G, Ågren H, Wu J, Tu Y. Zou R, et al. Among authors: agren h. J Chem Inf Model. 2020 Mar 23;60(3):1551-1558. doi: 10.1021/acs.jcim.9b00920. Epub 2020 Feb 26. J Chem Inf Model. 2020. PMID: 32053358

10

Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils.

Kuang G, Murugan NA, Zhou Y, Nordberg A, Ågren H. Kuang G, et al. Among authors: agren h. ACS Chem Neurosci. 2020 Mar 18;11(6):900-908. doi: 10.1021/acschemneuro.9b00578. Epub 2020 Feb 28. ACS Chem Neurosci. 2020. PMID: 32069017

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