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HEIDI: an experiment-management platform enabling high-throughput fragment and compound screening.
Acta Crystallogr D Struct Biol. 2024 May 1;80(Pt 5):328-335. doi: 10.1107/S2059798324002833. Epub 2024 Apr 12.
Acta Crystallogr D Struct Biol. 2024.
PMID: 38606665
Free PMC article.
SDU - software for high-throughput automated data collection at the Swiss Light Source.
Smith KML, Panepucci E, Kaminski JW, Aumonier S, Huang CY, Eris D, Buntschu D, Meier N, Glettig W, McAuley KE, Wang M, Sharpe ME, Wojdyla JA.
Smith KML, et al.
J Synchrotron Radiat. 2023 May 1;30(Pt 3):538-545. doi: 10.1107/S1600577523002631. Epub 2023 Apr 12.
J Synchrotron Radiat. 2023.
PMID: 37042663
Free PMC article.
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CX-ASAP: a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions.
Thompson AJ, Smith KML, Clegg JK, Price JR.
Thompson AJ, et al. Among authors: smith kml.
J Appl Crystallogr. 2023 Feb 28;56(Pt 2):558-564. doi: 10.1107/S1600576723000298. eCollection 2023 Apr 1.
J Appl Crystallogr. 2023.
PMID: 37032967
Free PMC article.
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Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Huang CY, Aumonier S, Engilberge S, Eris D, Smith KML, Leonarski F, Wojdyla JA, Beale JH, Buntschu D, Pauluhn A, Sharpe ME, Metz A, Olieric V, Wang M.
Huang CY, et al. Among authors: smith kml.
Acta Crystallogr D Struct Biol. 2022 Aug 1;78(Pt 8):964-974. doi: 10.1107/S205979832200612X. Epub 2022 Jul 27.
Acta Crystallogr D Struct Biol. 2022.
PMID: 35916221
Free PMC article.
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Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, Huang CY, Meier N, Steuber J, Wang M, Fritz G, Wojdyla JA, Sharpe ME.
Kaminski JW, et al. Among authors: smith kml.
Acta Crystallogr D Struct Biol. 2022 Mar 1;78(Pt 3):328-336. doi: 10.1107/S2059798322000705. Epub 2022 Feb 21.
Acta Crystallogr D Struct Biol. 2022.
PMID: 35234147
Free PMC article.
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Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator.
Mills S, Aishima J, Aragao D, Caradoc-Davies TT, Cowieson N, Gee CL, Ericsson D, Harrop S, Panjikar S, Smith KML, Riboldi-Tunnicliffe A, Williamson R, Price JR.
Mills S, et al. Among authors: smith kml.
Acta Crystallogr E Crystallogr Commun. 2020 Jun 26;76(Pt 7):1136-1138. doi: 10.1107/S2056989020008099. eCollection 2020 Jul 1.
Acta Crystallogr E Crystallogr Commun. 2020.
PMID: 32695467
Free PMC article.
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