Wacker S - Search Results

1

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach.

Lee KH, Fant AD, Guo J, Guan A, Jung J, Kudaibergenova M, Miranda WE, Ku T, Cao J, Wacker S, Duff HJ, Newman AH, Noskov SY, Shi L. Lee KH, et al. Among authors: wacker s. J Chem Inf Model. 2021 Sep 27;61(9):4266-4279. doi: 10.1021/acs.jcim.1c00856. Epub 2021 Aug 21. J Chem Inf Model. 2021. PMID: 34420294 Free PMC article.

2

Computational Models for Understanding of Structure, Function and Pharmacology of the Cardiac Potassium Channel Kv11.1 (hERG).

Wacker S, Noskov SY, Perissinotti LL. Wacker S, et al. Curr Top Med Chem. 2017;17(23):2681-2702. doi: 10.2174/1568026617666170414143430. Curr Top Med Chem. 2017. PMID: 28413954 Review.

3

Performance of Machine Learning Algorithms for Qualitative and Quantitative Prediction Drug Blockade of hERG1 channel.

Wacker S, Noskov SY. Wacker S, et al. Comput Toxicol. 2018 May;6:55-63. doi: 10.1016/j.comtox.2017.05.001. Epub 2017 May 13. Comput Toxicol. 2018. PMID: 29806042 Free PMC article.

4

Computational determination of toxicity risks associated with a selection of approved drugs having demonstrated activity against COVID-19.

Aminpour M, Delgado WEM, Wacker S, Noskov S, Houghton M, Tyrrell DLJ, Tuszynski JA. Aminpour M, et al. Among authors: wacker s. BMC Pharmacol Toxicol. 2021 Oct 21;22(1):61. doi: 10.1186/s40360-021-00519-5. BMC Pharmacol Toxicol. 2021. PMID: 34674775 Free PMC article.

5

Toward a consensus model of the HERG potassium channel.

Stary A, Wacker SJ, Boukharta L, Zachariae U, Karimi-Nejad Y, Aqvist J, Vriend G, de Groot BL. Stary A, et al. ChemMedChem. 2010 Mar 1;5(3):455-67. doi: 10.1002/cmdc.200900461. ChemMedChem. 2010. PMID: 20104563

6

The molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation.

Zachariae U, Schneider R, Velisetty P, Lange A, Seeliger D, Wacker SJ, Karimi-Nejad Y, Vriend G, Becker S, Pongs O, Baldus M, de Groot BL. Zachariae U, et al. Among authors: wacker sj. Structure. 2008 May;16(5):747-54. doi: 10.1016/j.str.2008.01.018. Structure. 2008. PMID: 18462679 Free article.

7

Identification of selective inhibitors of the potassium channel Kv1.1-1.2((3)) by high-throughput virtual screening and automated patch clamp.

Wacker SJ, Jurkowski W, Simmons KJ, Fishwick CW, Johnson AP, Madge D, Lindahl E, Rolland JF, de Groot BL. Wacker SJ, et al. ChemMedChem. 2012 Oct;7(10):1775-83. doi: 10.1002/cmdc.201100600. Epub 2012 Mar 30. ChemMedChem. 2012. PMID: 22473914 Free PMC article.

8

The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site.

Wacker SJ, Aponte-Santamaría C, Kjellbom P, Nielsen S, de Groot BL, Rützler M. Wacker SJ, et al. Mol Membr Biol. 2013 May;30(3):246-60. doi: 10.3109/09687688.2013.773095. Epub 2013 Mar 1. Mol Membr Biol. 2013. PMID: 23448163 Free article.

9

Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice.

Jelen S, Wacker S, Aponte-Santamaría C, Skott M, Rojek A, Johanson U, Kjellbom P, Nielsen S, de Groot BL, Rützler M. Jelen S, et al. Among authors: wacker s. J Biol Chem. 2011 Dec 30;286(52):44319-25. doi: 10.1074/jbc.M111.297002. Epub 2011 Nov 11. J Biol Chem. 2011. PMID: 22081610 Free PMC article.

10

Moving beyond descriptive studies: harnessing metabolomics to elucidate the molecular mechanisms underpinning host-microbiome phenotypes.

Bishop SL, Drikic M, Wacker S, Chen YY, Kozyrskyj AL, Lewis IA. Bishop SL, et al. Among authors: wacker s. Mucosal Immunol. 2022 Jun;15(6):1071-1084. doi: 10.1038/s41385-022-00553-4. Epub 2022 Aug 15. Mucosal Immunol. 2022. PMID: 35970917 Free article. Review.

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