Publications

1. Thorn, A. et al. (2023) Macromolecular structure determination: experiment vs. prediction, Nature Reviews Molecular Cell Biology, [in review]
2. Agirre, J.*, Thorn, A. et al. The CCP4 suite: integrative software for macromolecular crystallography, Acta Cryst. D79, 449-461, doi: 10.1107/S2059798323003595
3. Gao, Y., Thorn, V., Thorn, A.* (2023). Errors in Structural Biology are not the Exception, Acta Cryst. D79, 206-211, (2023) doi: 10.1107/S2059798322011901
   
   2022
   
   
4. Edich M, Briggs DC, Kippes O, Gao Y, Thorn A*: The impact of AlphaFold on experimental structure solution, Faraday Discussions. (2022). doi:10.1039/D2FD00072E.
5. Thorn, A.*: Artificial intelligence in the experimental determination and prediction of macromolecular structures, Curr. Opin. Struct. Biol. 74, 102368. (2022). doi:10.1016/j.sbi.2022.102368.
6. Nolte K, Gao Y, Stäb S, Kollmannsberger P, Thorn A*: Detecting ice artefacts in processed macromolecular diffraction data with machine learning, Acta Cryst. D 78, 187-195. (2022). doi:10.1107/S205979832101202X.
7. Al-Otaibi, N., Aminian J., A., Anane, R.F, Baatsen, P., Bakker, S.E., Bergeron, J., Bharadwaj, A., Bhella, D., Braun, T., Brescia, R., Bullough, P., Clare, D.K., Daum, B., Esser, T.K., del Mar Farinas Lucas, I., Frank, R.A.W., Gold, V.A. M., Harrison, P.J., Jackson Hirst, I., Klebl, D.P., Kühlbrandt, W., Morton, c., Muench, S.P., Nakasone, M., Russo, C.J., Saibil, H.R., Scheres, S.H.W. Sehrawat, V., Shah, A.R., Smith, C., Thompson, R.F., Thorn, A., Zanetti, G. (2022) Sample preparation in single particle cryo-EM: general discussion, Faraday Discussions, 240, 81-100. DOI: 10.1039/D2FD90059A
8. Al-Otaibi, N., Baatsen, P., Bhella, D., Brescia, R., Bullough, P., Daum, B., de Bruin, R., Frank, R., Kühlbrandt, W., López-Iglesias, C., McLaren, M., Menday, R., Morrissey, F., Mullick, D., Paris, G., Parker, A., Russo, C., Saibil, H., Scheres, S.H.W., Shah, A., Smith, C., Thompson, R., Thorn, A., Zanetti, G., Zhao, J. (2022) Tomographic analysis, CLEM: general discussion, Faraday Discussions, 240, 142-151. doi: 10.1039/D2FD90060B
9. Bakker E., Bergeron, J., Bharadwaj, A., Bhella, D., Bullough, P., Chau, P.-L., Frank, R.A.W., Jakobi, A.J., Praveen Joseph, A., Kühlbrandt, W., Lahiri, I., Menday, R., Muench, S.P., Nakasone, M., Nerukh, D.,  Paris, G., Russo, C.J., Saibil, H.R., Scheres, S.H.W., Sehrawat, V., Shah, A.R., Thorn, A., Vilas, J.L., Zanetti, G. (2022) Map/model validation and machine learning in EM: general discussion, Faraday Discussions, 240, 229-242, doi: 10.1039/D2FD90061K
   
   2022/2023 Special Issues of Crystallography Reviews with results from the Coronavirus Structural Task Force:
   
   
10. Horrell, S., Kirsten, F., Santoni, G., Thorn, A. (2023) Structural biology of SARS-CoV-2 Helicas (nsp13), Cryst. Rev. [in review]
11. Kandler, L., Kippes, O., Edich, M., Stäb, S., Santoni, G., Thorn, A. (2023). SARS-CoV-2 Envelope and Membrane Proteins, Cryst. Rev. [in review]
12. Fyfe, C., Von Soosten, L.C., Santoni, G., Thorn, A (2023). Structural Biology of SARS-CoV-2 Exoribonuclease/N7 Methyltransferase (nsp14), 2' O methyltransferase (nsp16), and their enhancing protein (nsp10), Cryst. Rev. [in review]
13. Stäb, S., Pearce, N.M., Ginn, H., Fadda, E., Santoni, G., Thorn, A. (2023). Up, up, down, down: The structural biology of the SARS-CoV-2 spike protein and how it cheats the immune system, Cryst. Rev., [in review]
14. Nebelung, E., Santoni, G., Thorn, A. (2023). Structural biology of SARS-CoV-2’s Non-Structural Protein 9, Cryst Rev. [in review]
15. Kaub, J., Akinselure, T., Von Soosten, L.C., Santoni, G., Thorn, A. (2023). Structural biology of SARSCoV-2 leader protein (nsp1). Cryst. Rev. [in review]
16. Gao, Y., Kaub, J., Santoni, G., Pearce, N., Thorn, A. (2023). Structural Biology of SARS-CoV/SARSCoV-2 Main Protease, Cryst. Rev., doi.org/10.1080/0889311X.2023.2222275 [published online ahead of print]
17. Briggs, D.C., Kandler, L., Schmidt, L., Santoni, G., Thorn, A (2023). Structural Biology of SARS-CoV-2 Accessory Proteins, Cryst. Rev., doi.org/10.1080/0889311X.2023.2173744 [published online ahead of print]
18. Von Soosten, L.C., Edich, M., Nolte, K., Kaub, J., Santoni, G., Thorn, A. (2022). The Swiss Army Knife of SARS-CoV-2: the Structures and Functions of NSP3, Cryst. Rev., doi:10.1080/0889311X.2022.2098281 [published online ahead of print]
19. Kippes, O., Thorn, A., Santoni, G. (2022). Structural biology of SARS-CoV-2 Nucleocapsid, Cryst. Rev. , doi: 10.1080/0889311X.2022.2072835 [published online ahead of print]
20. Horrell, S., Santoni, G., Thorn, A. (2022). Structural biology of SARS-CoV-2 EndoribonucleasNendoU (nsp15), Cryst. Rev. , doi: 10.1080/0889311X.2022.2065270 [published online ahead of print]
    
    2021
    
    
21. Bárcena M, Barnes CO, Beck M, Bjorkman PJ, Canard B, Gao GF, Gao Y, Hilgenfeld R, Hummer G, Patwardhan A, Santoni G, Ollmann Saphire E, Schaffitzel C, Schendel SL, Smith JL, Thorn A, Veesler D, Zhang P, Zhou Q: Structural biology in the fight against COVID-19, Nature Structural & Molecular Biology 28, 2–7 (2021). doi:10.1038/s41594-020-00544-8.
22. Ramon Macias J, Sanchez-Garcia R, Conesa P, Ramirez-Aportela E, Martinez Gonzalez M, Wert-Carvajal C, Segura Mora J, Horrell S, Thorn A, Sorzano COS, Carazo JM*: 3DBionotes COVID-19 Edition, Bioinformatics 37, 4258–4260 (2021). doi: 10.1093/bioinformatics/btab397.
23. Croll TI, Diederichs K, Fischer F, Fyfe CD, Gao Y, Horrell S, Joseph AP, Kandler L, Kippes O, Kirsten F, Müller K, Nolte K, Payne AM, Reeves MG, Richardson JS, Santoni G, Stäb S, Tronrud DE, von Soosten LC, Williams CJ, Thorn A*: Making the invisible enemy visible. Nature Structural & Molecular Biology 28, 404–408 (2021). doi:10.1038/s41594-021-00593-7.
    
    2020
    
    
24. Knote A, von Mammen S, Gao Y, Thorn A*: Immersive Analysis of Crystallographic Diffraction Data, 26th ACM Symposium on Virtual Reality Software and Technology 58, 1–3 (2020). doi:10.1145/3385956.3422097.
25. Thorn A*: Die Coronavirus Structural Task Force, BIOspektrum 26, 442–443 (2020). doi:10.1007/s12268-020-1408-0.
    
    2019
    
    
26. Mostosi P, Schindelin H, Kollmannsberger P, Thorn A*: Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo‐Electron Microscopy Maps. Angewandte Chemie (International Edition) 59, 14788–14795 (2020). doi:10.1002/anie.202000421.
    
    2017
    
    
27. Thorn A*, Parkhurst JM, Emsley P, Nicholls RA, Evans G, Vollmar M, Murshudov GN: AUSPEX: a graphical tool for X-ray diffraction data analysis. Acta Crystallographica Section D, Structural Biology 73, 729–737 (2017). doi:10.1107/S205979831700969X.
28. Parkhurst JM, Thorn A, Vollmar M, Winter G, Waterman DG, Fuentes-Montero L, Gildea RJ, Murshudov GN, Evans G*: Background modelling of diffraction data in the presence of ice-rings. International Union of Crystallography Journal 4, 626–638 (2017). doi:10.1107/S2052252517010259.
    
    2016
    
    
29. Thorn A*: Experimental Phasing: Substructure Solution and Density Modification as Implemented in SHELX in Protein Crystallography. Methods in Molecular Biology (series), 357–376. Invited book chapter. Co-editors: Wlodawer A, Dauter Z, Jaskolski M, Springer 2017. doi:10.1007/978-1-4939-7000-1_15.
30. Knott GJ, Panjikar S, Thorn A, Fox AH, Conte MR, Lee M, Bond CS*: A crystallographic study of human NONO (p54nrb): Overcoming pathological problems with purification, data collection and non-crystallographic symmetry. Acta Crystallographica Section D, Structural Biology 72, 761–769 (2017). doi:10.1107/S2059798316005830.
    
    2014
    
    
31. Deigan Warner K, Chen MC, Song W, Strack RL, Thorn A, Jaffrey SR, Ferré-D’Amaré AR*: Structural basis for activity of highly efficient RNA mimics of green fluorescent protein, NSMB 21, 658–663 (2014). doi:10.1038/nsmb.2865.
    
    2013
    
    
32. Thorn A*, Sheldrick GM: Extending Molecular Replacement Solutions with SHELXE, Acta Crystallographica Section D, Structural Biology 69, 2251–2256 (2013). doi:10.1107/S0907444913027534.
    
    2012
    
    
33. Cooper RI, Thorn A, Watkin DJ*: CRYSTALS enhancements: asymmetric restraints. Journal of Applied Crystallography 45, 1057–1060 (2012). doi:10.1107/S0021889812035790.
34. Thorn A, Steinfeld R, Ziegenbein M, Grapp M, Hsiao HH, Urlaub H, Sheldrick GM, Gärtner J, Krätzner R*: Structure and activity of the only human RNase T2, Nucleic Acids Research 40, 8733–8742 (2012). doi:10.1093/nar/gks614.
35. Thorn A, Dittrich B, Sheldrick GM: Enhanced rigid-bond restraints. Acta Crystallographica Section A, Foundations and Advances 68, 448–451 (2012). doi:10.1107/S0108767312014535.
    
    2011
    
    
36. Thorn A, Sheldrick GM*: ANODE: anomalous and heavy-atom density calculation. Journal of Applied Crystallography 44, 1285–1287 (2011). doi:10.1107/S0021889811041768.
37. Thorn A: Practical approaches to macromolecular structure determination. Doctoral Thesis (2011). http://webdoc.sub.gwdg.de/diss/2011/thorn/
    
    2010
    
    
38. Vouffo B, Dongo E, Facey P, Thorn A, Sheldrick GM, Maier A, Fiebig HH, Laatsch H*: Antiarol cinnamate and Africanoside, a cinnamoyl triterpene and a hydroperoxy-cardenolide from the stem bark of Antiaris Africana. Planta medica 76, 1717–1723 (2010). doi:10.1055/s-0030-1249958.
39. Tavcar G, Sen SS, Azhakar R, Thorn A, Roesky HW*: Facile syntheses of silylene nickel carbonyl complexes from Lewis base stabilized chlorosilylenes. Inorganic Chemistry 49, 10199–10202 (2010). doi:10.1021/ic101556s.
40. Fischer A, Stern D, Thorn A, Abraham S, Stalke D, Klingebiel U*: From the Lithium-2-anilide-2-fluoro-1,3-diaza-2-sila-cyclopentene-GaCl3 Adduct to 1,4,6-Triaza-5-gallium-7-sila-cyclo-3-heptene—Experimental and Quantum-chemical Results. Zeitschrift für Anorganische und Allgemeine Chemie 636, 1527–1532 (2010). doi:10.1002/zaac.201000041.
    
    2009
    
    
41. Vollmar D, Thorn A, Schuberth I, Grond S*: A comprehensive view on 4-methyl-2-quinazolinamine, a new microbial alkaloid from Streptomyces of TCM plant origin. Journal of Antibiotics 62, 439–444 (2009). doi:10.1038/ja.2009.68
    
    2008
    
    
42. Thorn A, Egerer-Sieber C, Jäger CM, Herl V, Müller-Uri F, Kreis W, Muller YA*: The crystal structure of 5β-Progesterone Reductase from Digitalis Lanata defines of a novel subfamily of short-chain dehydrogenases/reductases. Journal of Biological Chemistry 283, 17260-17269 (2008). doi:10.1074/jbc.M706185200.
43. Tampier S, Müller R, Thorn A, Hübner E, Burzlaff N*: Synthesis, Structure and Reactivity of Ruthenium Carboxylato and 2-Oxocarboxylato Complexes bearing the Bis(3,5-dimethylpyrazol-1-yl)acetato Ligand. Inorganic Chemistry 47, 9624-9641 (2008). doi:10.1021/ic8000224.
    

* corresponding author

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