Aqvist J - Search Results

1

Comparative analysis of putative agonist-binding modes in the human A1 adenosine receptor.

Gutiérrez-de-Terán H, Pastor M, Centeno NB, Aqvist J, Sanz F. Gutiérrez-de-Terán H, et al. Among authors: aqvist j. Chembiochem. 2004 Jun 7;5(6):841-9. doi: 10.1002/cbic.200300817. Chembiochem. 2004. PMID: 15174168

2

Inhibitor binding to the plasmepsin IV aspartic protease from Plasmodium falciparum.

Gutiérrez-de-Terán H, Nervall M, Ersmark K, Liu P, Janka LK, Dunn B, Hallberg A, Aqvist J. Gutiérrez-de-Terán H, et al. Among authors: aqvist j. Biochemistry. 2006 Sep 5;45(35):10529-41. doi: 10.1021/bi0609669. Biochemistry. 2006. PMID: 16939205

3

Computational analysis of plasmepsin IV bound to an allophenylnorstatine inhibitor.

Gutiérrez-de-Terán H, Nervall M, Dunn BM, Clemente JC, Aqvist J. Gutiérrez-de-Terán H, et al. Among authors: aqvist j. FEBS Lett. 2006 Oct 30;580(25):5910-6. doi: 10.1016/j.febslet.2006.09.057. Epub 2006 Oct 5. FEBS Lett. 2006. PMID: 17045991 Free article.

4

Computational inhibitor design against malaria plasmepsins.

Bjelic S, Nervall M, Gutiérrez-de-Terán H, Ersmark K, Hallberg A, Aqvist J. Bjelic S, et al. Among authors: aqvist j. Cell Mol Life Sci. 2007 Sep;64(17):2285-305. doi: 10.1007/s00018-007-7102-2. Cell Mol Life Sci. 2007. PMID: 17585371 Free PMC article. Review.

5

alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.

Orrling KM, Marzahn MR, Gutiérrez-de-Terán H, Aqvist J, Dunn BM, Larhed M. Orrling KM, et al. Among authors: aqvist j. Bioorg Med Chem. 2009 Aug 15;17(16):5933-49. doi: 10.1016/j.bmc.2009.06.065. Epub 2009 Jul 3. Bioorg Med Chem. 2009. PMID: 19635672

6

Phe369(7.38) at human 5-HT(7) receptors confers interspecies selectivity to antagonists and partial agonists.

Varin T, Gutiérrez-de-Terán H, Castro M, Brea J, Fabis F, Dauphin F, Aqvist J, Lepailleur A, Perez P, Burgueño J, Vela JM, Loza MI, Rodrigo J. Varin T, et al. Among authors: aqvist j. Br J Pharmacol. 2010 Mar;159(5):1069-81. doi: 10.1111/j.1476-5381.2009.00481.x. Epub 2009 Nov 18. Br J Pharmacol. 2010. PMID: 19922537 Free PMC article.

7

Computational prediction of structure-activity relationships for the binding of aminocyclitols to β-glucocerebrosidase.

Díaz L, Bujons J, Delgado A, Gutiérrez-de-Terán H, Åqvist J. Díaz L, et al. Among authors: aqvist j. J Chem Inf Model. 2011 Mar 28;51(3):601-11. doi: 10.1021/ci100453a. Epub 2011 Mar 8. J Chem Inf Model. 2011. PMID: 21384831

8

Linear interaction energy: method and applications in drug design.

Gutiérrez-de-Terán H, Aqvist J. Gutiérrez-de-Terán H, et al. Among authors: aqvist j. Methods Mol Biol. 2012;819:305-23. doi: 10.1007/978-1-61779-465-0_20. Methods Mol Biol. 2012. PMID: 22183545

9

Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY.

Xu B, Fällmar H, Boukharta L, Pruner J, Lundell I, Mohell N, Gutiérrez-de-Terán H, Aqvist J, Larhammar D. Xu B, et al. Among authors: aqvist j. Biochemistry. 2013 Nov 12;52(45):7987-98. doi: 10.1021/bi400830c. Epub 2013 Oct 31. Biochemistry. 2013. PMID: 24111902

10

Computational prediction of alanine scanning and ligand binding energetics in G-protein coupled receptors.

Boukharta L, Gutiérrez-de-Terán H, Aqvist J. Boukharta L, et al. Among authors: aqvist j. PLoS Comput Biol. 2014 Apr 17;10(4):e1003585. doi: 10.1371/journal.pcbi.1003585. eCollection 2014 Apr. PLoS Comput Biol. 2014. PMID: 24743773 Free PMC article.

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