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Design and Synthesis of Covalent Inhibitors of FabA.
Martin JS, Mackenzie CJ, Lin D, Homeyer N, Gray DW, Zuccotto F, Gilbert IH. Martin JS, et al. Among authors: homeyer n. ACS Omega. 2023 Mar 27;8(14):12787-12804. doi: 10.1021/acsomega.2c08031. eCollection 2023 Apr 11. ACS Omega. 2023. PMID: 37065080 Free PMC article.
Author Correction: Cyclin-dependent kinase 12 is a drug target for visceral leishmaniasis.
Wyllie S, Thomas M, Patterson S, Crouch S, De Rycker M, Lowe R, Gresham S, Urbaniak MD, Otto TD, Stojanovski L, Simeons FRC, Manthri S, MacLean LM, Zuccotto F, Homeyer N, Pflaumer H, Boesche M, Sastry L, Connolly P, Albrecht S, Berriman M, Drewes G, Gray DW, Ghidelli-Disse S, Dixon S, Fiandor JM, Wyatt PG, Ferguson MAJ, Fairlamb AH, Miles TJ, Read KD, Gilbert IH. Wyllie S, et al. Among authors: homeyer n. Nature. 2023 Jul;619(7970):E48. doi: 10.1038/s41586-023-06364-2. Nature. 2023. PMID: 37402863 No abstract available.
A platform for target prediction of phenotypic screening hit molecules.
Homeyer N, van Deursen R, Ochoa-Montaño B, Heikamp K, Ray P, Zuccotto F, Blundell TL, Gilbert IH. Homeyer N, et al. J Mol Graph Model. 2020 Mar;95:107485. doi: 10.1016/j.jmgm.2019.107485. Epub 2019 Oct 24. J Mol Graph Model. 2020. PMID: 31836397 Free PMC article.
Cyclin-dependent kinase 12 is a drug target for visceral leishmaniasis.
Wyllie S, Thomas M, Patterson S, Crouch S, De Rycker M, Lowe R, Gresham S, Urbaniak MD, Otto TD, Stojanovski L, Simeons FRC, Manthri S, MacLean LM, Zuccotto F, Homeyer N, Pflaumer H, Boesche M, Sastry L, Connolly P, Albrecht S, Berriman M, Drewes G, Gray DW, Ghidelli-Disse S, Dixon S, Fiandor JM, Wyatt PG, Ferguson MAJ, Fairlamb AH, Miles TJ, Read KD, Gilbert IH. Wyllie S, et al. Among authors: homeyer n. Nature. 2018 Aug;560(7717):192-197. doi: 10.1038/s41586-018-0356-z. Epub 2018 Jul 25. Nature. 2018. PMID: 30046105 Free PMC article.
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.
Ioannidis H, Drakopoulos A, Tzitzoglaki C, Homeyer N, Kolarov F, Gkeka P, Freudenberger K, Liolios C, Gauglitz G, Cournia Z, Gohlke H, Kolocouris A. Ioannidis H, et al. Among authors: homeyer n. J Chem Inf Model. 2016 May 23;56(5):862-76. doi: 10.1021/acs.jcim.6b00079. Epub 2016 May 9. J Chem Inf Model. 2016. PMID: 27105206
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