My Bibliography

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Lynch M, Snell M, Potter S, Snell E, Bowman S. 20 years of crystal hits: progress and promise in ultrahigh-throughput crystallization screening. Acta Crystallographica Section D Structural Biology. 2023 February; 79(3):198-205. doi: 10.1107/S2059798323001274.

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Pulavarti SVSRK, Maguire JB, Yuen S, Harrison JS, Griffin J, Premkumar L, Esposito EA, Makhatadze GI, Garcia AE, Weiss TM, Snell EH, Kuhlman B, Szyperski T. From Protein Design to the Energy Landscape of a Cold Unfolding Protein. J Phys Chem B. 2022 Feb 17;126(6):1212-1231. doi: 10.1021/acs.jpcb.1c10750. Epub 2022 Feb 7. PubMed PMID: 35128921; PubMed Central PMCID: PMC9281400.

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Pulavarti S, Maguire J, Yuen S, Harrison J, Griffin J, Premkumar L, Esposito E, Makhatadze G, Garcia A, Weiss T, Snell E, Kuhlman B, Szyperski T. From Protein Design to the Energy Landscape of a Cold Unfolding Protein. The Journal of Physical Chemistry B. 2022 February; 126(6):1212-1231. doi: 10.1021/acs.jpcb.1c10750.

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Bogdan P, Caetano-Anollés G, Jolles A, Kim H, Morris J, Murphy CA, Royer C, Snell EH, Steinbrenner A, Strausfeld N. Biological Networks across Scales-The Theoretical and Empirical Foundations for Time-Varying Complex Networks that Connect Structure and Function across Levels of Biological Organization. Integr Comp Biol. 2022 Feb 5;61(6):1991-2010. doi: 10.1093/icb/icab069. PubMed PMID: 34021749.

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Durdagi S, Dağ Ç, Dogan B, Yigin M, Avsar T, Buyukdag C, Erol I, Ertem FB, Calis S, Yildirim G, Orhan MD, Guven O, Aksoydan B, Destan E, Sahin K, Besler SO, Oktay L, Shafiei A, Tolu I, Ayan E, Yuksel B, Peksen AB, Gocenler O, Yucel AD, Can O, Ozabrahamyan S, Olkan A, Erdemoglu E, Aksit F, Tanisali G, Yefanov OM, Barty A, Tolstikova A, Ketawala GK, Botha S, Dao EH, Hayes B, Liang M, Seaberg MH, Hunter MS, Batyuk A, Mariani V, Su Z, Poitevin F, Yoon CH, Kupitz C, Sierra RG, Snell EH, DeMirci H. Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing. Structure. 2021 Dec 2;29(12):1382-1396.e6. doi: 10.1016/j.str.2021.07.007. Epub 2021 Aug 16. PubMed PMID: 34403647; PubMed Central PMCID: PMC8367086.

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Stachowski TR, Snell ME, Snell EH. A SAXS-based approach to rationally evaluate radical scavengers - toward eliminating radiation damage in solution and crystallographic studies. J Synchrotron Radiat. 2021 Sep 1;28(Pt 5):1309-1320. doi: 10.1107/S1600577521004045. Epub 2021 Aug 9. PubMed PMID: 34475280; PubMed Central PMCID: PMC8415334.

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Lynch ML, Snell EH, Bowman SEJ. Structural biology in the time of COVID-19: perspectives on methods and milestones. IUCrJ. 2021 May 1;8(Pt 3):335-341. doi: 10.1107/S2052252521003948. eCollection 2021 May 1. Review. PubMed PMID: 33953920; PubMed Central PMCID: PMC8086156.

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Snell E, Helliwell J. Microgravity as an environment for macromolecular crystallization – an outlook in the era of space stations and commercial space flight. Crystallography Reviews. 2021 April; 27(1):3-46. doi: 10.1080/0889311X.2021.1900833.

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Holleman ET, Duguid E, Keefe LJ, Bowman SEJ. Polo: an open-source graphical user interface for crystallization screening. J Appl Crystallogr. 2021 Apr 1;54(Pt 2):673-679. doi: 10.1107/S1600576721000108. eCollection 2021 Apr 1. PubMed PMID: 33953660; PubMed Central PMCID: PMC8056757.

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T.R. Stachowski, M.E. Snell, E.H. Snell. Crystal structure of Latency Associated Peptide unbound to TGF-beta1. 2020 March. doi: 10.2210/pdb6p7j/pdb.

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T.R. Stachowski, M.E. Snell, E.S. Snell. Crystal structure of endo-beta-N-acetylglucosaminidase H at high pH. In: 2020 November. DOI: 10.2210/pdb6ve1/pdb.

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Stachowski T, Snell M, Snell E. SAXS studies of X-ray induced disulfide bond damage: Engineering high-resolution insight from a low-resolution technique. PLOS ONE. 2020 November; 15(11):e0239702-. doi: 10.1371/journal.pone.0239702.

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Durdagi S, Dag C, Dogan B, Yigin M, Avsar T, Buyukdag C, Erol I, Ertem B, Calis S, Yildirim G, Orhan M, Guven O, Aksoydan B, Destan E, Sahin K, Besler S, Oktay L, Shafiei A, Tolu I, Ayan E, Yuksel B, Peksen A, Gocenler O, Yucel A, Can O, Ozabrahamyan S, Olkan A, Erdemoglu E, Aksit F, Tanisali G, Yefanov O, Barty A, Tolstikova A, Ketawala G, Botha S, Dao E, Hayes B, Liang M, Seaberg M, Hunter M, Batyuk A, Mariani V, Su Z, Poitevin F, Yoon C, Kupitz C, Sierra R, Snell E, DeMirci H. Near-Physiological-Temperature Serial Femtosecond X-ray Crystallography Reveals Novel Conformations of SARS-CoV-2 Main Protease Active Site for Improved Drug Repurposing. [preprint]. 2020 September. doi: 10.1101/2020.09.09.287987.

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Lynch ML, Dudek MF, Bowman SEJ. A Searchable Database of Crystallization Cocktails in the PDB: Analyzing the Chemical Condition Space. Patterns (N Y). 2020 Jul 10;1(4). doi: 10.1016/j.patter.2020.100024. Epub 2020 Apr 28. PubMed PMID: 32776019; PubMed Central PMCID: PMC7409820.

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Stachowski T, Snell M, Snell E. Structural insights into conformational switching in latency-associated peptide between transforming growth factor β-1 bound and unbound states. IUCrJ. 2020 February; 7(2):238-252. doi: 10.1107/S205225251901707X.

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Grime G, Zeldin O, Snell M, Lowe E, Hunt J, Montelione G, Tong L, Snell E, Garman E. High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application. Journal of the American Chemical Society. 2019 December; 142(1):185-197. doi: 10.1021/jacs.9b09186.

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Taberman H, Bury C, van der Woerd M, Snell E, Garman E. Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. Journal of Synchrotron Radiation. 2019 June; 26(4):931-944. doi: 10.1107/S1600577519005599.

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Stachowski T, Grant T, Snell E. Structural consequences of transforming growth factor beta-1 activation from near-therapeutic X-ray doses. Journal of Synchrotron Radiation. 2019 June; 26(4):967-979. doi: 10.1107/S1600577519005113.

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Niessen K, Xu M, George D, Chen M, Ferré-D’Amaré A, Snell E, Cody V, Pace J, Schmidt M, Markelz A. Protein and RNA dynamical fingerprinting. Nature Communications. 2019 March; 10(1):-. doi: 10.1038/s41467-019-08926-3.

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Biological Small Angle Scattering 2018 09.

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Bruno, A.E., Charbonneau, P., Newman, J., Snell, E.H., So, D.R., Vanhoucke, V., Watkins, C.J., Williams, S., Wilson, J.. Classification of crystallization outcomes using deep convolutional neural networks. arXiv. 2018. doi: 10.48550/arxiv.1803.10342.

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Bruno A, Charbonneau P, Newman J, Snell E, So D, Vanhoucke V, Watkins C, Williams S, Wilson J. Classification of crystallization outcomes using deep convolutional neural networks. PLOS ONE. 2018-6-; 13(6):e0198883-. doi: 10.1371/journal.pone.0198883.

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Niessen K, Xu M, Paciaroni A, Orecchini A, Snell E, Markelz A. Moving in the Right Direction: Protein Vibrations Steering Function. Biophysical Journal. 2017 December; 113(11):2573-. doi: 10.1016/j.bpj.2017.10.038.

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Oberthuer D, Knoška J, Wiedorn MO, Beyerlein KR, Bushnell DA, Kovaleva EG, Heymann M, Gumprecht L, Kirian RA, Barty A, Mariani V, Tolstikova A, Adriano L, Awel S, Barthelmess M, Dörner K, Xavier PL, Yefanov O, James DR, Nelson G, Wang D, Calvey G, Chen Y, Schmidt A, Szczepek M, Frielingsdorf S, Lenz O, Snell E, Robinson PJ, Šarler B, Belšak G, Maček M, Wilde F, Aquila A, Boutet S, Liang M, Hunter MS, Scheerer P, Lipscomb JD, Weierstall U, Kornberg RD, Spence JCH, Pollack L, Chapman HN, Bajt S. Corrigendum: Double-flow focused liquid injector for efficient serial femtosecond crystallography. Sci Rep. 2017 Jun 21;7:46846. doi: 10.1038/srep46846. PubMed PMID: 28635955; PubMed Central PMCID: PMC5478973.

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Oberthuer D, Knoška J, Wiedorn M, Beyerlein K, Bushnell D, Kovaleva E, Heymann M, Gumprecht L, Kirian R, Barty A, Mariani V, Tolstikova A, Adriano L, Awel S, Barthelmess M, Dörner K, Xavier P, Yefanov O, James D, Nelson G, Wang D, Calvey G, Chen Y, Schmidt A, Szczepek M, Frielingsdorf S, Lenz O, Snell E, Robinson P, Šarler B, Belšak G, Maček M, Wilde F, Aquila A, Boutet S, Liang M, Hunter M, Scheerer P, Lipscomb J, Weierstall U, Kornberg R, Spence J, Pollack L, Chapman H, Bajt S. Correction: Corrigendum: Double-flow focused liquid injector for efficient serial femtosecond crystallography. Scientific Reports. 2017 June; 7(1):-. doi: 10.1038/srep46846.

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Oberthuer D, Knoška J, Wiedorn M, Beyerlein K, Bushnell D, Kovaleva E, Heymann M, Gumprecht L, Kirian R, Barty A, Mariani V, Tolstikova A, Adriano L, Awel S, Barthelmess M, Dörner K, Xavier P, Yefanov O, James D, Nelson G, Wang D, Calvey G, Chen Y, Schmidt A, Szczepek M, Frielingsdorf S, Lenz O, Snell E, Robinson P, Šarler B, Belšak G, Maček M, Wilde F, Aquila A, Boutet S, Liang M, Hunter M, Scheerer P, Lipscomb J, Weierstall U, Kornberg R, Spence J, Pollack L, Chapman H, Bajt S. Double-flow focused liquid injector for efficient serial femtosecond crystallography. Scientific Reports. 2017 March; 7(1):-. doi: 10.1038/srep44628.

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Niessen K, Xu M, Paciaroni A, Orecchini A, Snell E, Markelz A. Moving in the Right Direction: Protein Vibrations Steering Function. Biophysical Journal. 2017 March; 112(5):933-942. doi: 10.1016/j.bpj.2016.12.049.

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Bruno AE, Soares AS, Owen RL, Snell EH. The use of haptic interfaces and web services in crystallography: an application for a 'screen to beam' interface. J Appl Crystallogr. 2016 Dec 1;49(Pt 6):2082-2090. doi: 10.1107/S160057671601431X. eCollection 2016 Dec 1. PubMed PMID: 27980513; PubMed Central PMCID: PMC5139995.

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Xu M, Niessen K, Michki N, Deng Y, Snell E, Markelz A. Anisotropic absorption measurements reveal protein dynamical transition in intramolecular vibrations. 2016 41st International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz). 2016 41st International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz); ; Copenhagen, Denmark. IEEE; c2016.

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Altan I, Charbonneau P, Snell E. Computational crystallization. Archives of Biochemistry and Biophysics. 2016 July; 602:12-20. NIHMSID: NIHMS755870.doi: 10.1016/j.abb.2016.01.004.

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E.H. Snell, M.E. Snell. Wild type T4 lysozyme structure. 2015 February. doi: 10.2210/pdb4s0w/pdb.

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Luft JR, Wolfley JR, Franks EC, Lauricella AM, Gualtieri EJ, Snell EH, Xiao R, Everett JK, Montelione GT. The detection and subsequent volume optimization of biological nanocrystals. Struct Dyn. 2015 Jul;2(4):041710. doi: 10.1063/1.4921199. eCollection 2015 Jul. PubMed PMID: 26798809; PubMed Central PMCID: PMC4711624.

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Monteiro DCF, Patel V, Bartlett CP, Nozaki S, Grant TD, Gowdy JA, Thompson GS, Kalverda AP, Snell EH, Niki H, Pearson AR, Webb ME. The structure of the PanD/PanZ protein complex reveals negative feedback regulation of pantothenate biosynthesis by coenzyme A. Chem Biol. 2015 Apr 23;22(4):492-503. doi: 10.1016/j.chembiol.2015.03.017. PubMed PMID: 25910242; PubMed Central PMCID: PMC4410942.

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Grant TD, Luft JR, Carter LG, Matsui T, Weiss TM, Martel A, Snell EH. The accurate assessment of small-angle X-ray scattering data. Acta Crystallogr D Biol Crystallogr. 2015 Jan 1;71(Pt 1):45-56. doi: 10.1107/S1399004714010876. Epub 2015 Jan 1. PubMed PMID: 25615859; PubMed Central PMCID: PMC4304685.

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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. A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins. 2015 Feb;83(2):309-17. doi: 10.1002/prot.24719. Epub 2014 Dec 19. PubMed PMID: 25388768; PubMed Central PMCID: PMC5061451.

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Rossi P, Shi L, Liu G, Barbieri C, Lee H, Grant T, Luft J, Xiao R, Acton T, Snell E, Montelione G, Baker D, Lange O, Sgourakis N. A hybrid NMR/SAXS‐based approach for discriminating oligomeric protein interfaces using <scp>R</scp> osetta. Proteins: Structure, Function, and Bioinformatics. 2014 December; 83(2):309-317. doi: 10.1002/prot.24719.

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Niessen K, Snell E, Markelz A. Measurements and calculations of protein intramolecular vibrations in the THz range. 2014 39th International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz). 2014 39th International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz); ; Tucson, AZ, USA. IEEE; c2014.

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Calero G, Cohen AE, Luft JR, Newman J, Snell EH. Identifying, studying and making good use of macromolecular crystals. Acta Crystallogr F Struct Biol Commun. 2014 Aug;70(Pt 8):993-1008. doi: 10.1107/S2053230X14016574. Epub 2014 Jul 25. PubMed PMID: 25084371; PubMed Central PMCID: PMC4118793.

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Fusco D, Barnum T, Bruno A, Luft J, Snell E, Mukherjee S, Charbonneau P. Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms. PLoS ONE. 2014-7-; 9(7):e101123-. doi: 10.1371/journal.pone.0101123.

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Luft JR, Newman J, Snell EH. Crystallization screening: the influence of history on current practice. Acta Crystallogr F Struct Biol Commun. 2014 Jul;70(Pt 7):835-53. doi: 10.1107/S2053230X1401262X. Epub 2014 Jun 27. Review. PubMed PMID: 25005076; PubMed Central PMCID: PMC4089519.

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Bruno A, Ruby A, Luft J, Grant T, Seetharaman J, Montelione G, Hunt J, Snell E. Comparing Chemistry to Outcome: The Development of a Chemical Distance Metric, Coupled with Clustering and Hierarchal Visualization Applied to Macromolecular Crystallography. PLoS ONE. 2014-6-; 9(6):e100782-. doi: 10.1371/journal.pone.0100782.

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Luft JR, Grant TD, Wolfley JR, Snell EH. A new view on crystal harvesting. J Appl Crystallogr. 2014 Jun 1;47(Pt 3):1158-1161. doi: 10.1107/S1600576714008899. eCollection 2014 Jun 1. PubMed PMID: 24904250; PubMed Central PMCID: PMC4038804.

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Munshi P, Snell EH, van der Woerd MJ, Judge RA, Myles DA, Ren Z, Meilleur F. Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant. Acta Crystallogr D Biol Crystallogr. 2014 Feb;70(Pt 2):414-20. doi: 10.1107/S1399004713029684. Epub 2014 Jan 29. PubMed PMID: 24531475.

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Acbas G, Niessen K, Snell E, Markelz A. Optical measurements of long-range protein vibrations. Nature Communications. 2014 January; 5(1):-. doi: 10.1038/ncomms4076.

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Sutton KA, Black PJ, Mercer KR, Garman EF, Owen RL, Snell EH, Bernhard WA. Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies. Acta Crystallogr D Biol Crystallogr. 2013 Dec;69(Pt 12):2381-94. doi: 10.1107/S0907444913022117. Epub 2013 Nov 19. PubMed PMID: 24311579; PubMed Central PMCID: PMC3852651.

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Niessen K, Xu M, Snell E, Markelz A. THz microscopy measurements on inhibitor dependence of protein intramolecular modes. 2013 38th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz). 2013 38th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz 2013); ; Mainz, Germany. IEEE; c2013.

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Grant TD, Luft JR, Wolfley JR, Snell ME, Tsuruta H, Corretore S, Quartley E, Phizicky EM, Grayhack EJ, Snell EH. The structure of yeast glutaminyl-tRNA synthetase and modeling of its interaction with tRNA. J Mol Biol. 2013 Jul 24;425(14):2480-93. doi: 10.1016/j.jmb.2013.03.043. Epub 2013 Apr 10. PubMed PMID: 23583912; PubMed Central PMCID: PMC3859906.

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Stiegler A, Grant T, Luft J, Calderwood D, Snell E, Boggon T. Purification and SAXS Analysis of the Integrin Linked Kinase, PINCH, Parvin (IPP) Heterotrimeric Complex. PLoS ONE. 2013-1-; 8(1):e55591-. NIHMSID: NIHMS540197.doi: 10.1371/journal.pone.0055591.

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Acbas G, Snell E, Markelz A. Orientation sensitive Terahertz resonances observed in protein crystals. 2012 37th International Conference on Infrared, Millimeter, and Terahertz Waves. 2012 37th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz 2012); ; Wollongong, NSW, Australia. IEEE; c2012.

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Grant T, Snell E, Luft J, Quartley E, Corretore S, Wolfley J, Elizabeth Snell M, Hadd A, Perona J, Phizicky E, Grayhack E. Structural conservation of an ancient tRNA sensor in eukaryotic glutaminyl-tRNA synthetase. Nucleic Acids Research. 2012 April; 40(8):3723-3731. NIHMSID: NIHMS540194.doi: 10.1093/nar/gkr1223.