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Engineering Supramolecular Hybrid Architectures with Directional Organofluorine Bonds.
Kotei PA, Paley DW, Oklejas V, Mittan-Moreau DW, Schriber EA, Aleksich M, Willson MC, Inoue I, Owada S, Tono K, Sugahara M,
Inaba-Inoue S, Aquila A, Poitevin F, Blaschke JP, Lisova S, Hunter MS, Sierra RG, Gascón JA, Sauter NK, Brewster AS, Hohman JN.
Small Science 4, e2300110 (13 Dec 2023).
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Accelerating X-ray tracing for exascale systems using Kokkos.
Wittwer F, Sauter NK, Mendez D, Poon BK, Brewster AS, Holton JM, Wall ME, Hart WE, Bard DJ, Blaschke JP.
Concurrency and Computation: Practice and Experience, e7944 (02 Nov 2023).
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In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
Nguyen RC, Davis I, Dasgupta M, Wang Y, Simon PS, Butryn A, Makita H, Bogacz I, Dornevil K, Aller P, Bhowmick A, Chatterjee R, Kim IS, Zhou T, Mendez D, Paley DW, Fuller F, Alonso Mori R, Batyuk A, Sauter NK, Brewster AS, Orville AM, Yachandra VK, Yano J, Kern JF, Liu A.
J Am Chem Soc
145,
25120-25133.
(22 Nov 2023):
[PMID:37939223]
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Going around the Kok cycle of the water oxidation reaction with femtosecond X-ray crystallography.
Bhowmick A, Simon PS, Bogacz I, Hussein R, Zhang M, Makita H, Ibrahim M, Chatterjee R, Doyle MD, Cheah MH, Chernev P, Fuller FD, Fransson T, Alonso-Mori R, Brewster AS, Sauter NK, Bergmann U, Dobbek H, Zouni A, Messinger J, Kern J, Yachandra VK, Yano J.
IUCrJ
10,
642-655.
(01 Nov 2023):
[PMID:37870936]
[Free PMC reprint: PMC10619448]
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Structure of a ribonucleotide reductase R2 protein radical.
Lebrette H, Srinivas V, John J, Aurelius O, Kumar R, Lundin D, Brewster AS, Bhowmick A, Sirohiwal A, Kim IS, Gul S, Pham C, Sutherlin KD, Simon P, Butryn A, Aller P, Orville AM, Fuller FD, Alonso-Mori R, Batyuk A, Sauter NK, Yachandra VK, Yano J, Kaila VRI, Sjöberg BM, Kern J, Roos K, Högbom M.
Science
382,
109-113.
(06 Oct 2023):
[PMID:37797025]
(SLAC Press release)
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Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Wolff AM, Nango E, Young ID, Brewster AS, Kubo M, Nomura T, Sugahara M, Owada S, Barad BA, Ito K, Bhowmick A, Carbajo S, Hino T, Holton JM, Im D, O'Riordan LJ, Tanaka T, Tanaka R, Sierra RG, Yumoto F, Tono K, Iwata S, Sauter NK, Fraser JS, Thompson MC.
Nat Chem
(18 Sep 2023):
[PMID:37723259]
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Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Smith N, Dasgupta M, Wych DC, Dolamore C, Sierra RG, Lisova S, Marchany-Rivera D, Cohen AE, Boutet S, Hunter MS, Kupitz C, Poitevin F, Moss FR, Brewster AS, Sauter NK, Young ID, Wolff AM, Tiwari VK, Kumar N, Berkowitz DB, Hadt RG, Thompson MC, Follmer AH, Wall ME, Wilson MA.
bioRxiv
(16 Aug 2023):
[PMID:37645800]
[Free PMC reprint: PMC10462001]
XFEL Microcrystallography of Self-Assembling Silver n-Alkanethiolates.
Aleksich M, Paley DW, Schriber EA, Linthicum W, Oklejas V, Mittan-Moreau DW, Kelly RP, Kotei PA, Ghodsi A, Sierra RG, Aquila A, Poitevin F, Blaschke JP, Vakili M, Milne CJ, Dall'Antonia F, Khakhulin D, Ardana-Lamas F, Lima F, Valerio J, Han H, Gallo T, Yousef H, Turkot O, Bermudez Macias IJ, Kluyver T, Schmidt P, Gelisio L, Round AR, Jiang Y, Vinci D, Uemura Y, Kloos M, Hunter M, Mancuso AP, Huey BD, Parent LR, Sauter NK, Brewster AS, Hohman JN.
J Am Chem Soc
(31 Jul 2023):
[PMID:37524069]
(EuXFEL Press release)
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Self-Supervised Deep Learning for Model Correction in the Computational Crystallography Toolbox.
Ganapati V, Tchon D, Brewster AS, Sauter NK.
ArXiv
(04 Jul 2023):
[PMID:37461412]
[Free PMC reprint: PMC10350105]
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Structural evidence for intermediates during O2 formation in photosystem II.
Bhowmick A, Hussein R, Bogacz I, Simon PS, Ibrahim M, Chatterjee R, Doyle MD, Cheah MH, Fransson T, Chernev P, Kim IS, Makita H, Dasgupta M, Kaminsky CJ, Zhang M, Gätcke J, Haupt S, Nangca II, Keable SM, Aydin AO, Tono K, Owada S, Gee LB, Fuller FD, Batyuk A, Alonso-Mori R, Holton JM, Paley DW, Moriarty NW, Mamedov F, Adams PD, Brewster AS, Dobbek H, Sauter NK, Bergmann U, Zouni A, Messinger J, Kern J, Yano J, Yachandra VK.
Nature
(03 May 2023):
[PMID:37138085]
(LBNL Press release)
(SLAC Press release)
(SharedIT https://rdcu.be/dbhn2)