My Bibliography

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Baker RG, Reichl KD, Smith MJ, Ricca M, Mickelberg MA, Porco JA Jr. Substrate- and Reagent-Controlled Dimerization of Vinyl para-Quinone Methides. J Org Chem. 2025 May 2;90(17):5871-5889. doi: 10.1021/acs.joc.5c00123. Epub 2025 Apr 21. PubMed PMID: 40257254; PubMed Central PMCID: PMC12117543.

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Oo A, Borge A, Lee RCH, Salim CK, Wang W, Ricca M, Fong DY, Alonso S, Brown LE, Porco JA Jr, Chu JJH. In Vitro Discovery of a Therapeutic Lead for HFMD From a Library Screen of Rocaglates/Aglains. J Med Virol. 2025 Feb;97(2):e70228. doi: 10.1002/jmv.70228. PubMed PMID: 39921602; PubMed Central PMCID: PMC11806654.

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Durand T, Dodge GJ, Siuda RP, Higinbotham HR, Arbour CA, Ghosh S, Allen KN, Imperiali B. Proteome-wide bioinformatic annotation and functional validation of the monotopic phosphoglycosyl transferase superfamily. Proc Natl Acad Sci U S A. 2024 Dec 3;121(49):e2417572121. doi: 10.1073/pnas.2417572121. Epub 2024 Nov 27. PubMed PMID: 39602253; PubMed Central PMCID: PMC11626204.

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Marghalani R, Cueny ES. Stability of metal-metal interactions in transmetallation intermediates based on electronics of bridging arene ligands determined through pyridine titrations. Dalton Trans. 2024 Dec 3;53(47):18839-18844. doi: 10.1039/d4dt01828a. PubMed PMID: 39091234.

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Su S, Guo Y, Parnitzke B, Poerio T, Derosa J. A Voltage-Controlled Strategy for Modular Shono-Type Amination. J Am Chem Soc. 2024 Oct 23;146(42):28663-28668. doi: 10.1021/jacs.4c12520. Epub 2024 Oct 14. PubMed PMID: 39401528.

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Millimaci AM, Knirsch AC, Beeler AB. Regioselective Photoredox Catalyzed Cycloadditions of Acyclic Carbonyl Ylides. Org Lett. 2024 Sep 13;26(36):7484-7488. doi: 10.1021/acs.orglett.4c02126. Epub 2024 Sep 4. PubMed PMID: 39231246.

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Yang F, Oladokun A, Porco JA Jr. Evolution of a Strategy for the Unified, Asymmetric Total Syntheses of DMOA-Derived Spiromeroterpenoids. J Org Chem. 2024 Sep 6;89(17):11891-11908. doi: 10.1021/acs.joc.4c01116. Epub 2024 Aug 12. Review. PubMed PMID: 39133739; PubMed Central PMCID: PMC11382302.

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Wang Z, Thakare RP, Chitale S, Mishra AK, Goldstein SI, Fan AC, Li R, Zhu LJ, Brown LE, Cencic R, Huang S, Green MR, Pelletier J, Malonia SK, Porco JA Jr. Identification of Rocaglate Acyl Sulfamides as Selective Inhibitors of Glioblastoma Stem Cells. ACS Cent Sci. 2024 Aug 28;10(8):1640-1656. doi: 10.1021/acscentsci.4c01073. eCollection 2024 Aug 28. PubMed PMID: 39220711; PubMed Central PMCID: PMC11363328.

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Skipper HE, Valaydon-Pillay A, Hyre AS, Rheingold AL, Stoian SA, Doerrer LH. Assessment of Iron-Based Spin-Orbit Coupling Effects in Pt-Fe Heterobimetallic Lantern Complexes via (57)Fe Mössbauer Spectroscopy. Inorg Chem. 2024 Jun 3;63(22):10143-10159. doi: 10.1021/acs.inorgchem.3c04541. Epub 2024 May 22. PubMed PMID: 38776972.

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El-Arid S, Lenihan JM, Jacobsen A, Beeler AB, Grinstaff MW. Accessing Cyclobutane Polymers: Overcoming Synthetic Challenges via Efficient Continuous Flow [2 + 2] Photopolymerization. ACS Macro Lett. 2024 May 21;13(5):607-613. doi: 10.1021/acsmacrolett.4c00083. Epub 2024 May 2. PubMed PMID: 38695337; PubMed Central PMCID: PMC11414449.

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Ji K, Parthiban J, Jockusch S, Sivaguru J, Porco JA Jr. Triple-Dearomative Photocycloaddition: A Strategy to Construct Caged Molecular Frameworks. J Am Chem Soc. 2024 May 15;146(19):13445-13454. doi: 10.1021/jacs.4c02674. Epub 2024 May 6. PubMed PMID: 38708818; PubMed Central PMCID: PMC11149169.

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Ji K, Johnson RP, McNeely J, Al Faruk M, Porco JA Jr. Asymmetric Synthesis of Nidulalin A and Nidulaxanthone A: Selective Carbonyl Desaturation Using an Oxoammonium Salt. J Am Chem Soc. 2024 Feb 21;146(7):4892-4902. doi: 10.1021/jacs.3c13864. Epub 2024 Feb 6. PubMed PMID: 38319883; PubMed Central PMCID: PMC10922861.

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Dodge GJ, Anderson AJ, He Y, Liu W, Viner R, Imperiali B. Mapping the architecture of the initiating phosphoglycosyl transferase from S. enterica O-antigen biosynthesis in a liponanoparticle. Elife. 2024 Feb 15;12. doi: 10.7554/eLife.91125. PubMed PMID: 38358918; PubMed Central PMCID: PMC10942596.

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Seebald LM, Haratipour P, Jacobs MR, Bernstein HM, Kashemirov BA, McKenna CE, Imperiali B. Uridine Bisphosphonates Differentiate Phosphoglycosyl Transferase Superfamilies. J Am Chem Soc. 2024 Feb 7;146(5):3220-3229. doi: 10.1021/jacs.3c11402. Epub 2024 Jan 25. PubMed PMID: 38271668; PubMed Central PMCID: PMC10922802.

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Toubiana LA, Valaydon-Pillay A, Elinburg JK, Bacon JW, Ozarowski A, Doerrer LH, Stoian SA. Spectroscopic and Theoretical Investigation of High-Spin Square-Planar and Trigonal Fe(II) Complexes Supported by Fluorinated Alkoxides. Inorg Chem. 2024 Feb 5;63(5):2370-2387. doi: 10.1021/acs.inorgchem.3c03236. Epub 2024 Jan 23. PubMed PMID: 38259134; NIHMSID:NIHMS2004766.

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Arbour CA, Vuksanovic N, Bernstein HM, Allen KN, Imperiali B. Characterization of PglJ, a Glycosyltransferase in the Campylobacter concisus N-Linked Protein Glycosylation Pathway that Expands Glycan Diversity. Biochemistry. 2024 Jan 2;63(1):141-151. doi: 10.1021/acs.biochem.3c00564. Epub 2023 Dec 18. PubMed PMID: 38110367; PubMed Central PMCID: PMC10873021.

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Vuksanovic N, Clasman JR, Imperiali B, Allen KN. Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA. Protein Sci. 2024 Jan;33(1):e4848. doi: 10.1002/pro.4848. PubMed PMID: 38019455; PubMed Central PMCID: PMC10731488.

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Muellers SN, Allen KN, Whitty A. MEnTaT: A machine-learning approach for the identification of mutations to increase protein stability. Proc Natl Acad Sci U S A. 2023 Dec 5;120(49):e2309884120. doi: 10.1073/pnas.2309884120. Epub 2023 Dec 1. PubMed PMID: 38039271; PubMed Central PMCID: PMC10710055.

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DiRusso C, DeMaria A, Wong J, Wang W, Jordanides J, Whitty A, Allen K, Gilmore T. A conserved core region of the scaffold NEMO is essential for signal-induced conformational change and liquid-liquid phase separation. Journal of Biological Chemistry. 2023 December; 299(12):105396-. NIHMSID: NIHMS10694592.doi: 10.1016/j.jbc.2023.105396.

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Majumder A, Vuksanovic N, Ray LC, Bernstein HM, Allen KN, Imperiali B, Straub JE. Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble. J Biol Chem. 2023 Oct;299(10):105194. doi: 10.1016/j.jbc.2023.105194. Epub 2023 Aug 25. PubMed PMID: 37633332; PubMed Central PMCID: PMC10519829.

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Moore SM, Sun C, Steele JL, Laaker EM, Rheingold AL, Doerrer LH. HAA by the first {Mn(iii)OH} complex with all O-donor ligands. Chem Sci. 2023 Aug 2;14(30):8187-8195. doi: 10.1039/d3sc01971c. eCollection 2023 Aug 2. PubMed PMID: 37538819; PubMed Central PMCID: PMC10395311.

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Anderson AJ, Dodge GJ, Allen KN, Imperiali B. Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases. Protein Sci. 2023 Jun;32(6):e4646. doi: 10.1002/pro.4646. PubMed PMID: 37096962; PubMed Central PMCID: PMC10186338.

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DiRusso C, DeMaria A, Wong J, Jordanides J, Whitty A, Allen K, Gilmore T. A Conserved Core Region of the Scaffold NEMO is Essential for Signal-induced Conformational Change and Liquid-liquid Phase Separation. [preprint]. 2023 May. doi: 10.1101/2023.05.25.542299.

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Majumder A, Vuksanovic N, Ray L, Bernstein H, Allen K, Imperiali B, Straub J. Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble. [preprint]. 2023 May. doi: 10.1101/2023.05.07.539694.

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Arbour CA, Nagar R, Bernstein HM, Ghosh S, Al-Sammarraie Y, Dorfmueller HC, Ferguson MAJ, Stanley-Wall NR, Imperiali B. Defining Early Steps in B. subtilis Biofilm Biosynthesis. bioRxiv. 2023 Feb 22;. doi: 10.1101/2023.02.22.529487. PubMed PMID: 36865097; PubMed Central PMCID: PMC9980142.

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Muellers SN, Tararina MA, Kuzmanovic U, Galagan JE, Allen KN. Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase. Biochemistry. 2023 Feb 7;62(3):851-862. doi: 10.1021/acs.biochem.2c00540. Epub 2023 Jan 20. PubMed PMID: 36662673.

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Knox HL, Allen KN. Expanding the viewpoint: Leveraging sequence information in enzymology. Curr Opin Chem Biol. 2023 Feb;72:102246. doi: 10.1016/j.cbpa.2022.102246. Epub 2023 Jan 2. Review. PubMed PMID: 36599282; PubMed Central PMCID: PMC10251232.

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Knox H, Allen K. Expanding the viewpoint: Leveraging sequence information in enzymology. Current Opinion in Chemical Biology. 2023 February; 72:102246-. doi: 10.1016/j.cbpa.2022.102246.

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Muellers SN, Nyitray MM, Reynarowych N, Saljanin E, Benzie AL, Schoenfeld AR, Stockman BJ, Allen KN. Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase. Biochemistry. 2022 Sep 6;61(17):1853-1861. doi: 10.1021/acs.biochem.2c00361. Epub 2022 Aug 22. PubMed PMID: 35994320; PubMed Central PMCID: PMC10845162.

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Allen KN, Whitman CP. The Birth of Genomic Enzymology: Discovery of the Mechanistically Diverse Enolase Superfamily. Biochemistry. 2021 Nov 23;60(46):3515-3528. doi: 10.1021/acs.biochem.1c00494. Epub 2021 Oct 19. PubMed PMID: 34664940; PubMed Central PMCID: PMC10251251.

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Turner LD, Nielsen AL, Lin L, Campedelli AJ, Silvaggi NR, Chen JS, Wakefield AE, Allen KN, Janda KD. Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. ACS Med Chem Lett. 2021 Aug 12;12(8):1318-1324. doi: 10.1021/acsmedchemlett.1c00325. eCollection 2021 Aug 12. PubMed PMID: 34413962; PubMed Central PMCID: PMC8365998.

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O'Toole KH, Bernstein HM, Allen KN, Imperiali B. The surprising structural and mechanistic dichotomy of membrane-associated phosphoglycosyl transferases. Biochem Soc Trans. 2021 Jun 30;49(3):1189-1203. doi: 10.1042/BST20200762. Review. PubMed PMID: 34100892; PubMed Central PMCID: PMC9206117.

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O'Toole K, Bernstein H, Allen K, Imperiali B. The surprising structural and mechanistic dichotomy of membrane-associated phosphoglycosyl transferases. Biochemical Society Transactions. 2021 June; 49(3):1189-1203. doi: 10.1042/BST20200762.

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Turner L, Lund Nielsen A, Lin L, Campedelli A, Silvaggi N, Chen J, Wakefield A, Allen K, janda K. Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. [preprint]. 2021-6-. doi: 10.26434/chemrxiv.14743893.

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Turner L, Lund Nielsen A, Lin L, Campedelli A, Silvaggi N, Chen J, Wakefield A, Allen K, janda K. Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. [preprint]. 2021 June. doi: 10.26434/chemrxiv.14743893.v1.

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Ortet P, Muellers S, Viarengo-Baker L, Streu K, Szymczyna B, Beeler A, Allen K, Whitty A. Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. Journal of the American Chemical Society. 2021 March; 143(10):3779-3793. doi: 10.1021/jacs.0c09799.

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O'Toole KH, Imperiali B, Allen KN. Glycoconjugate pathway connections revealed by sequence similarity network analysis of the monotopic phosphoglycosyl transferases. Proc Natl Acad Sci U S A. 2021 Jan 26;118(4). doi: 10.1073/pnas.2018289118. PubMed PMID: 33472976; PubMed Central PMCID: PMC7848588.

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Tararina M, Dam K, Dhingra M, Janda K, Palfey B, Allen K. Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2. Biochemistry. 2021 January; 60(4):259-273. doi: 10.1021/acs.biochem.0c00855.

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Lin L, Olson ME, Sugane T, Turner LD, Tararina MA, Nielsen AL, Kurbanov EK, Pellett S, Johnson EA, Cohen SM, Allen KN, Janda KD. Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A. J Med Chem. 2020 Oct 8;63(19):11100-11120. doi: 10.1021/acs.jmedchem.0c01006. Epub 2020 Sep 18. PubMed PMID: 32886509; PubMed Central PMCID: PMC7581224.

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Harvey CM, O'Toole KH, Liu C, Mariano P, Dunaway-Mariano D, Allen KN. Structural Analysis of Binding Determinants of Salmonella typhimurium Trehalose-6-phosphate Phosphatase Using Ground-State Complexes. Biochemistry. 2020 Sep 8;59(35):3247-3257. doi: 10.1021/acs.biochem.0c00317. Epub 2020 Aug 17. PubMed PMID: 32786412; PubMed Central PMCID: PMC10251262.

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Tararina MA, Allen KN. Bioinformatic Analysis of the Flavin-Dependent Amine Oxidase Superfamily: Adaptations for Substrate Specificity and Catalytic Diversity. J Mol Biol. 2020 May 1;432(10):3269-3288. doi: 10.1016/j.jmb.2020.03.007. Epub 2020 Mar 19. PubMed PMID: 32198115; PubMed Central PMCID: PMC7321841.

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Victor TW, O'Toole KH, Easthon LM, Ge M, Smith RJ, Huang X, Yan H, Chu YS, Chen S, Gursoy D, Ralle M, Imperiali B, Allen KN, Miller LM. Lanthanide-Binding Tags for 3D X-ray Imaging of Proteins in Cells at Nanoscale Resolution. J Am Chem Soc. 2020 Feb 5;142(5):2145-2149. doi: 10.1021/jacs.9b11571. Epub 2020 Jan 21. PubMed PMID: 31923358.

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Zhong M, Lynch A, Muellers SN, Jehle S, Luo L, Hall DR, Iwase R, Carolan JP, Egbert M, Wakefield A, Streu K, Harvey CM, Ortet PC, Kozakov D, Vajda S, Allen KN, Whitty A. Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry. 2020 Feb 4;59(4):563-581. doi: 10.1021/acs.biochem.9b00943. Epub 2020 Jan 2. PubMed PMID: 31851823; PubMed Central PMCID: PMC8177486.

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Allen KN, Imperiali B. Structural and mechanistic themes in glycoconjugate biosynthesis at membrane interfaces. Curr Opin Struct Biol. 2019 Dec;59:81-90. doi: 10.1016/j.sbi.2019.03.013. Epub 2019 Apr 16. Review. PubMed PMID: 31003021; PubMed Central PMCID: PMC6885101.

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Shaffer R, DeMaria AM, Kagermazova L, Liu Y, Babaei M, Caban-Penix S, Cervantes A, Jehle S, Makowski L, Gilmore TD, Whitty A, Allen KN. A Central Region of NF-κB Essential Modulator Is Required for IKKβ-Induced Conformational Change and for Signal Propagation. Biochemistry. 2019 Jul 2;58(26):2906-2920. doi: 10.1021/acs.biochem.8b01316. Epub 2019 Jun 18. PubMed PMID: 31145594; PubMed Central PMCID: PMC9295417.

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Allen KN, Entova S, Ray LC, Imperiali B. Monotopic Membrane Proteins Join the Fold. Trends Biochem Sci. 2019 Jan;44(1):7-20. doi: 10.1016/j.tibs.2018.09.013. Epub 2018 Oct 15. Review. PubMed PMID: 30337134; PubMed Central PMCID: PMC6309722.

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Victor TW, Easthon LM, Ge M, O'Toole KH, Smith RJ, Huang X, Yan H, Allen KN, Chu YS, Miller LM. X-ray Fluorescence Nanotomography of Single Bacteria with a Sub-15 nm Beam. Sci Rep. 2018 Sep 7;8(1):13415. doi: 10.1038/s41598-018-31461-y. PubMed PMID: 30194316; PubMed Central PMCID: PMC6128931.

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Harvey CM, O'Toole KH, Allen KN. Crystallization of Liganded Phosphatases in the HAD Superfamily. Methods Enzymol. 2018;607:157-184. doi: 10.1016/bs.mie.2018.06.011. Epub 2018 Aug 9. PubMed PMID: 30149857.

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Zhang C, Allen KN, Dunaway-Mariano D. Mechanism of Substrate Recognition and Catalysis of the Haloalkanoic Acid Dehalogenase Family Member α-Phosphoglucomutase. Biochemistry. 2018 Jul 31;57(30):4504-4517. doi: 10.1021/acs.biochem.8b00396. Epub 2018 Jul 13. PubMed PMID: 29952545; PubMed Central PMCID: PMC10725300.

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Tararina MA, Xue S, Smith LC, Muellers SN, Miranda PO, Janda KD, Allen KN. Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme. Biochemistry. 2018 Jul 3;57(26):3741-3751. doi: 10.1021/acs.biochem.8b00384. Epub 2018 Jun 13. PubMed PMID: 29812904; PubMed Central PMCID: PMC6295333.