Ågren H - Search Results

1

Propagation of the Allosteric Modulation Induced by Sodium in the δ-Opioid Receptor.

Sun X, Laroche G, Wang X, Ågren H, Bowman GR, Giguère PM, Tu Y. Sun X, et al. Among authors: agren h. Chemistry. 2017 Apr 3;23(19):4615-4624. doi: 10.1002/chem.201605575. Epub 2017 Mar 20. Chemistry. 2017. PMID: 28182309

2

Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions.

Tu Y, Luo Y, Agren H. Tu Y, et al. Among authors: agren h. J Phys Chem B. 2006 May 11;110(18):8971-7. doi: 10.1021/jp0603583. J Phys Chem B. 2006. PMID: 16671703

3

Can octupolar molecules be poled by an external electric field?

Tu Y, Luo Y, Agren H. Tu Y, et al. Among authors: agren h. J Phys Chem B. 2005 Sep 8;109(35):16730-5. doi: 10.1021/jp051267t. J Phys Chem B. 2005. PMID: 16853130

4

Electric field poled polymeric nonlinear optical systems: molecular dynamics simulations of poly(methyl methacrylate) doped with disperse red chromophores.

Tu Y, Zhang Q, Agren H. Tu Y, et al. Among authors: agren h. J Phys Chem B. 2007 Apr 12;111(14):3591-8. doi: 10.1021/jp067384l. Epub 2007 Mar 21. J Phys Chem B. 2007. PMID: 17388535

5

Molecular dynamics simulations of local field factors.

Zhang Q, Tu Y, Tian H, Agren H. Zhang Q, et al. Among authors: agren h. J Chem Phys. 2007 Jul 7;127(1):014501. doi: 10.1063/1.2743970. J Chem Phys. 2007. PMID: 17627354

6

Molecular dynamics simulations of polycarbonate doped with Lemke chromophores.

Zhang Q, Tu Y, Tian H, Agren H. Zhang Q, et al. Among authors: agren h. J Phys Chem B. 2007 Sep 13;111(36):10645-50. doi: 10.1021/jp072560r. Epub 2007 Aug 18. J Phys Chem B. 2007. PMID: 17705528

7

Two-photon absorption of hydrogen-bonded octupolar molecule clusters.

Liu K, Wang Y, Tu Y, Agren H, Luo Y. Liu K, et al. Among authors: agren h. J Phys Chem B. 2008 Apr 10;112(14):4387-92. doi: 10.1021/jp712118w. Epub 2008 Mar 18. J Phys Chem B. 2008. PMID: 18345663

8

Nuclear magnetic shielding of the 113Cd(II) ion in aqua solution: a combined molecular dynamics/density functional theory study.

Li X, Rinkevicius Z, Tu Y, Tian H, Agren H. Li X, et al. Among authors: agren h. J Phys Chem B. 2008 Sep 11;112(36):11347-52. doi: 10.1021/jp802238f. Epub 2008 Aug 14. J Phys Chem B. 2008. PMID: 18700739

9

Paramagnetic perturbation of the 19F NMR chemical shift in fluorinated cysteine by O2: a theoretical study.

Li X, Rinkevicius Z, Tu Y, Tian H, Agren H. Li X, et al. Among authors: agren h. J Phys Chem B. 2009 Aug 6;113(31):10916-22. doi: 10.1021/jp902659s. J Phys Chem B. 2009. PMID: 19606811

10

Computer simulations of aqua metal ions for accurate reproduction of hydration free energies and structures.

Li X, Tu Y, Tian H, Agren H. Li X, et al. Among authors: agren h. J Chem Phys. 2010 Mar 14;132(10):104505. doi: 10.1063/1.3352567. J Chem Phys. 2010. PMID: 20232969

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