Kuenemann M - Search Results

1

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks.

Wieder O, Kuenemann M, Wieder M, Seidel T, Meyer C, Bryant SD, Langer T. Wieder O, et al. Among authors: kuenemann m. Molecules. 2021 Oct 13;26(20):6185. doi: 10.3390/molecules26206185. Molecules. 2021. PMID: 34684766 Free PMC article.

2

A compact review of molecular property prediction with graph neural networks.

Wieder O, Kohlbacher S, Kuenemann M, Garon A, Ducrot P, Seidel T, Langer T. Wieder O, et al. Among authors: kuenemann m. Drug Discov Today Technol. 2020 Dec;37:1-12. doi: 10.1016/j.ddtec.2020.11.009. Epub 2020 Dec 17. Drug Discov Today Technol. 2020. PMID: 34895648 Free article. Review.

3

Artificial intelligence-enhanced drug design and development: Toward a computational precision medicine.

Moingeon P, Kuenemann M, Guedj M. Moingeon P, et al. Among authors: kuenemann m. Drug Discov Today. 2022 Jan;27(1):215-222. doi: 10.1016/j.drudis.2021.09.006. Epub 2021 Sep 20. Drug Discov Today. 2022. PMID: 34555509 Review.

4

Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.

Kiyeleko S, Hocine S, Mautino G, Kuenemann M, Nawrotek A, Miallau L, Vuillard LM, Mirguet O, Kotschy A, Hanessian S. Kiyeleko S, et al. Among authors: kuenemann m. Bioorg Med Chem Lett. 2022 Nov 1;75:128950. doi: 10.1016/j.bmcl.2022.128950. Epub 2022 Aug 24. Bioorg Med Chem Lett. 2022. PMID: 36030002

5

In silico Predicted Glucose-1-phosphate Uridylyltransferase (GalU) Inhibitors Block a Key Pathway Required for Listeria Virulence.

Kuenemann MA, Spears PA, Orndorff PE, Fourches D. Kuenemann MA, et al. Mol Inform. 2018 Jul;37(6-7):e1800004. doi: 10.1002/minf.201800004. Epub 2018 Mar 8. Mol Inform. 2018. PMID: 29517123

6

Cheminformatics Analysis of Dynamic WNK-Inhibitor Interactions.

Kuenemann MA, Fourches D. Kuenemann MA, et al. Mol Inform. 2018 Jul;37(6-7):e1700138. doi: 10.1002/minf.201700138. Epub 2018 Feb 23. Mol Inform. 2018. PMID: 29473325

7

Confirmation of high-throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays.

Mahapatra D, Franzosa JA, Roell K, Kuenemann MA, Houck KA, Reif DM, Fourches D, Kullman SW. Mahapatra D, et al. Among authors: kuenemann ma. Sci Rep. 2018 Jun 11;8(1):8883. doi: 10.1038/s41598-018-27055-3. Sci Rep. 2018. PMID: 29891985 Free PMC article.

8

Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis.

Kuenemann MA, Szymczyk M, Chen Y, Sultana N, Hinks D, Freeman HS, Williams AJ, Fourches D, Vinueza NR. Kuenemann MA, et al. Chem Sci. 2017 Jun 1;8(6):4334-4339. doi: 10.1039/c7sc00567a. Epub 2017 Apr 7. Chem Sci. 2017. PMID: 28959395 Free PMC article.

9

Identifying individual risk rare variants using protein structure guided local tests (POINT).

Marceau West R, Lu W, Rotroff DM, Kuenemann MA, Chang SM, Wu MC, Wagner MJ, Buse JB, Motsinger-Reif AA, Fourches D, Tzeng JY. Marceau West R, et al. Among authors: kuenemann ma. PLoS Comput Biol. 2019 Feb 19;15(2):e1006722. doi: 10.1371/journal.pcbi.1006722. eCollection 2019 Feb. PLoS Comput Biol. 2019. PMID: 30779729 Free PMC article.

10

Cheminformatics Modeling of Amine Solutions for Assessing their CO₂ Absorption Properties.

Kuenemann MA, Fourches D. Kuenemann MA, et al. Mol Inform. 2017 Jul;36(7). doi: 10.1002/minf.201600143. Epub 2017 Mar 7. Mol Inform. 2017. PMID: 28266788

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