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Computational crystallization.

Altan I, Charbonneau P, Snell EH. Altan I, et al. Arch Biochem Biophys. 2016 Jul 15;602:12-20. doi: 10.1016/j.abb.2016.01.004. Epub 2016 Jan 11. Arch Biochem Biophys. 2016. PMID: 26792536 Free PMC article. Review.

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Crystallization screening: the influence of history on current practice.

Luft JR, Newman J, Snell EH. Luft JR, et al. Acta Crystallogr F Struct Biol Commun. 2014 Jul;70(Pt 7):835-53. doi: 10.1107/S2053230X1401262X. Epub 2014 Jun 27. Acta Crystallogr F Struct Biol Commun. 2014. PMID: 25005076 Free PMC article. Review.

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The accurate assessment of small-angle X-ray scattering data.

Grant TD, Luft JR, Carter LG, Matsui T, Weiss TM, Martel A, Snell EH. Grant TD, et al. Acta Crystallogr D Biol Crystallogr. 2015 Jan 1;71(Pt 1):45-56. doi: 10.1107/S1399004714010876. Epub 2015 Jan 1. Acta Crystallogr D Biol Crystallogr. 2015. PMID: 25615859 Free PMC article.

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Identifying, studying and making good use of macromolecular crystals.

Calero G, Cohen AE, Luft JR, Newman J, Snell EH. Calero G, et al. Acta Crystallogr F Struct Biol Commun. 2014 Aug;70(Pt 8):993-1008. doi: 10.1107/S2053230X14016574. Epub 2014 Jul 25. Acta Crystallogr F Struct Biol Commun. 2014. PMID: 25084371 Free PMC article.

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A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.

Rossi P, Shi L, Liu G, Barbieri CM, Lee HW, Grant TD, Luft JR, Xiao R, Acton TB, Snell EH, Montelione GT, Baker D, Lange OF, Sgourakis NG. Rossi P, et al. Proteins. 2015 Feb;83(2):309-17. doi: 10.1002/prot.24719. Epub 2014 Dec 19. Proteins. 2015. PMID: 25388768 Free PMC article.

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The use of haptic interfaces and web services in crystallography: an application for a 'screen to beam' interface.

Bruno AE, Soares AS, Owen RL, Snell EH. Bruno AE, et al. J Appl Crystallogr. 2016 Nov 11;49(Pt 6):2082-2090. doi: 10.1107/S160057671601431X. eCollection 2016 Dec 1. J Appl Crystallogr. 2016. PMID: 27980513 Free PMC article.

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The structure of yeast glutaminyl-tRNA synthetase and modeling of its interaction with tRNA.

Grant TD, Luft JR, Wolfley JR, Snell ME, Tsuruta H, Corretore S, Quartley E, Phizicky EM, Grayhack EJ, Snell EH. Grant TD, et al. J Mol Biol. 2013 Jul 24;425(14):2480-93. doi: 10.1016/j.jmb.2013.03.043. Epub 2013 Apr 10. J Mol Biol. 2013. PMID: 23583912 Free PMC article.

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Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.

Fusco D, Barnum TJ, Bruno AE, Luft JR, Snell EH, Mukherjee S, Charbonneau P. Fusco D, et al. PLoS One. 2014 Jul 2;9(7):e101123. doi: 10.1371/journal.pone.0101123. eCollection 2014. PLoS One. 2014. PMID: 24988076 Free PMC article.

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On the need for an international effort to capture, share and use crystallization screening data.

Newman J, Bolton EE, Müller-Dieckmann J, Fazio VJ, Gallagher DT, Lovell D, Luft JR, Peat TS, Ratcliffe D, Sayle RA, Snell EH, Taylor K, Vallotton P, Velanker S, von Delft F. Newman J, et al. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Mar 1;68(Pt 3):253-8. doi: 10.1107/S1744309112002618. Epub 2012 Feb 15. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012. PMID: 22442216 Free PMC article.

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What's in a drop? Correlating observations and outcomes to guide macromolecular crystallization experiments.

Luft JR, Wolfley JR, Snell EH. Luft JR, et al. Cryst Growth Des. 2011 Mar 2;11(3):651-663. doi: 10.1021/cg1013945. Cryst Growth Des. 2011. PMID: 21643490 Free PMC article.

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