Tresadern G - Search Results

1

A phenotypic high-content, high-throughput screen identifies inhibitors of NLRP3 inflammasome activation.

Nizami S, Millar V, Arunasalam K, Zarganes-Tzitzikas T, Brough D, Tresadern G, Brennan PE, Davis JB, Ebner D, Di Daniel E. Nizami S, et al. Among authors: tresadern g. Sci Rep. 2021 Jul 28;11(1):15319. doi: 10.1038/s41598-021-94850-w. Sci Rep. 2021. PMID: 34321581 Free PMC article.

2

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

D'Amore L, Hahn DF, Dotson DL, Horton JT, Anwar J, Craig I, Fox T, Gobbi A, Lakkaraju SK, Lucas X, Meier K, Mobley DL, Narayanan A, Schindler CEM, Swope WC, In 't Veld PJ, Wagner J, Xue B, Tresadern G. D'Amore L, et al. Among authors: tresadern g. J Chem Inf Model. 2022 Dec 12;62(23):6094-6104. doi: 10.1021/acs.jcim.2c01185. Epub 2022 Nov 26. J Chem Inf Model. 2022. PMID: 36433835 Free PMC article.

3

Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4.

Wright DW, Wan S, Meyer C, van Vlijmen H, Tresadern G, Coveney PV. Wright DW, et al. Among authors: tresadern g. Sci Rep. 2019 Apr 12;9(1):6017. doi: 10.1038/s41598-019-41758-1. Sci Rep. 2019. PMID: 30979914 Free PMC article.

4

Author Correction: A phenotypic high-content, high-throughput screen identifies inhibitors of NLRP3 inflammasome activation.

Nizami S, Millar V, Arunasalam K, Zarganes-Tzitzikas T, Brough D, Tresadern G, Brennan PE, Davis JB, Ebner D, Di Daniel E. Nizami S, et al. Among authors: tresadern g. Sci Rep. 2021 Oct 11;11(1):20529. doi: 10.1038/s41598-021-00202-z. Sci Rep. 2021. PMID: 34635690 Free PMC article. No abstract available.

5

Structural basis for the oligomerization-facilitated NLRP3 activation.

Yu X, Matico RE, Miller R, Chauhan D, Van Schoubroeck B, Grauwen K, Suarez J, Pietrak B, Haloi N, Yin Y, Tresadern GJ, Perez-Benito L, Lindahl E, Bottelbergs A, Oehlrich D, Van Opdenbosch N, Sharma S. Yu X, et al. Among authors: tresadern gj. Nat Commun. 2024 Feb 7;15(1):1164. doi: 10.1038/s41467-024-45396-8. Nat Commun. 2024. PMID: 38326375 Free PMC article.

6

Extending kinome coverage by analysis of kinase inhibitor broad profiling data.

Jacoby E, Tresadern G, Bembenek S, Wroblowski B, Buyck C, Neefs JM, Rassokhin D, Poncelet A, Hunt J, van Vlijmen H. Jacoby E, et al. Among authors: tresadern g. Drug Discov Today. 2015 Jun;20(6):652-8. doi: 10.1016/j.drudis.2015.01.002. Epub 2015 Jan 14. Drug Discov Today. 2015. PMID: 25596550 Review.

7

Industrial medicinal chemistry insights: neuroscience hit generation at Janssen.

Tresadern G, Rombouts FJR, Oehlrich D, Macdonald G, Trabanco AA. Tresadern G, et al. Drug Discov Today. 2017 Oct;22(10):1478-1488. doi: 10.1016/j.drudis.2017.05.013. Epub 2017 Jun 29. Drug Discov Today. 2017. PMID: 28669605 Review.

8

Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.

Pérez-Benito L, Keränen H, van Vlijmen H, Tresadern G. Pérez-Benito L, et al. Among authors: tresadern g. Sci Rep. 2018 Mar 20;8(1):4883. doi: 10.1038/s41598-018-23039-5. Sci Rep. 2018. PMID: 29559702 Free PMC article.

9

The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase.

Wan S, Bhati AP, Wright DW, Wade AD, Tresadern G, van Vlijmen H, Coveney PV. Wan S, et al. Among authors: tresadern g. Sci Rep. 2022 Jun 21;12(1):10433. doi: 10.1038/s41598-022-13319-6. Sci Rep. 2022. PMID: 35729177 Free PMC article.

10

Chemical Space Exploration with Active Learning and Alchemical Free Energies.

Khalak Y, Tresadern G, Hahn DF, de Groot BL, Gapsys V. Khalak Y, et al. Among authors: tresadern g. J Chem Theory Comput. 2022 Oct 11;18(10):6259-6270. doi: 10.1021/acs.jctc.2c00752. Epub 2022 Sep 23. J Chem Theory Comput. 2022. PMID: 36148968 Free PMC article.

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