Kalliokoski T - Search Results

1

Translation of innovative chemistry into screening libraries: an exemplar partnership from the European Lead Factory.

Morgentin R, Dow M, Aimon A, Karageorgis G, Kalliokoski T, Roche D, Marsden S, Nelson A. Morgentin R, et al. Among authors: kalliokoski t. Drug Discov Today. 2018 Sep;23(9):1578-1583. doi: 10.1016/j.drudis.2018.05.007. Epub 2018 May 9. Drug Discov Today. 2018. PMID: 29753124 Free article. Review.

2

Design, synthesis and decoration of molecular scaffolds for exploitation in the production of alkaloid-like libraries.

Craven P, Aimon A, Dow M, Fleury-Bregeot N, Guilleux R, Morgentin R, Roche D, Kalliokoski T, Foster R, Marsden SP, Nelson A. Craven P, et al. Among authors: kalliokoski t. Bioorg Med Chem. 2015 Jun 1;23(11):2629-35. doi: 10.1016/j.bmc.2014.12.048. Epub 2014 Dec 29. Bioorg Med Chem. 2015. PMID: 25600406

3

Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries.

Colomer I, Adeniji O, Burslem GM, Craven P, Rasmussen MO, Willaume A, Kalliokoski T, Foster R, Marsden SP, Nelson A. Colomer I, et al. Among authors: kalliokoski t. Bioorg Med Chem. 2015 Jun 1;23(11):2736-40. doi: 10.1016/j.bmc.2015.01.058. Epub 2015 Feb 11. Bioorg Med Chem. 2015. PMID: 25740633

4

Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective.

Karawajczyk A, Giordanetto F, Benningshof J, Hamza D, Kalliokoski T, Pouwer K, Morgentin R, Nelson A, Müller G, Piechot A, Tzalis D. Karawajczyk A, et al. Among authors: kalliokoski t. Drug Discov Today. 2015 Nov;20(11):1310-6. doi: 10.1016/j.drudis.2015.09.009. Epub 2015 Sep 30. Drug Discov Today. 2015. PMID: 26429298 Free article.

5

Realisation of small molecule libraries based on frameworks distantly related to natural products.

Aimon A, Karageorgis G, Masters J, Dow M, Craven PGE, Ohsten M, Willaume A, Morgentin R, Ruiz-Llamas N, Lemoine H, Kalliokoski T, Eatherton AJ, Foley DJ, Marsden SP, Nelson A. Aimon A, et al. Among authors: kalliokoski t. Org Biomol Chem. 2018 May 2;16(17):3160-3167. doi: 10.1039/c8ob00688a. Org Biomol Chem. 2018. PMID: 29645063 Free article.

6

Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis.

Kalliokoski T. Kalliokoski T. ACS Comb Sci. 2015 Oct 12;17(10):600-7. doi: 10.1021/acscombsci.5b00063. Epub 2015 Sep 15. ACS Comb Sci. 2015. PMID: 26371511

7

Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.

Kalliokoski T, Rummakko P, Rantanen M, Blaesse M, Augustin M, Ummenthala GR, Choudhary S, Venäläinen J. Kalliokoski T, et al. Bioorg Med Chem Lett. 2020 Apr 15;30(8):127060. doi: 10.1016/j.bmcl.2020.127060. Epub 2020 Feb 22. Bioorg Med Chem Lett. 2020. PMID: 32113843

8

Machine Learning Boosted Docking (HASTEN): An Open-source Tool To Accelerate Structure-based Virtual Screening Campaigns.

Kalliokoski T. Kalliokoski T. Mol Inform. 2021 Sep;40(9):e2100089. doi: 10.1002/minf.202100089. Epub 2021 Jun 1. Mol Inform. 2021. PMID: 34060239

9

Predicting pK_a for Small Molecules on Public and In-house Datasets Using Fast Prediction Methods Combined with Data Fusion.

Kalliokoski T, Sinervo K. Kalliokoski T, et al. Mol Inform. 2019 Jul;38(7):e1800163. doi: 10.1002/minf.201800163. Epub 2019 May 9. Mol Inform. 2019. PMID: 31070288

10

Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries.

Sivula T, Yetukuri L, Kalliokoski T, Käsnänen H, Poso A, Pöhner I. Sivula T, et al. Among authors: kalliokoski t. J Chem Inf Model. 2023 Sep 25;63(18):5773-5783. doi: 10.1021/acs.jcim.3c01239. Epub 2023 Sep 1. J Chem Inf Model. 2023. PMID: 37655823 Free PMC article.

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