Publications
Chaudhary, K. N.*; Brosnahan, K. I.*; Hickey, B. L.; Gibson-Elias, L.; Moreno, J., Jr; Hooley, R. J.; Caulkins, B. G. Investigation of the Effects on Proton Relaxation Times upon Encapsulation in a Water-Soluble Synthetic Receptor Phys. Chem. Chem. Phys. 2024, 10183-10190.
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Holmes, J. B.; Liu, V.; Caulkins, B. G.; Hilario, E.; Ghosh, R. K.; Drago, V. N.; Young, R. P.; Romero, J. A.; Gill, A. D.; Bogie, P. M.; Paulino, J.; Wang, X.; Riviere, G.; Bosken, Y. K.; Struppe, J.; Hassan, A.; Guidoulianov, J.; Perrone, B.; Menink-Vigier, F.; Chang, C. A.; Long, J. R.; Hooley, R. J.; Mueser, T. C.; Dunn, M. F.; Mueller, L. J. Imaging Active Site Chemistry and Protonation States: NMR Crystallography of the Tryptophan Synthase α-Aminoacrylate Intermediate Proc. Natl. Acad. Sci. 2022, 119, e2109235119, DOI: 10.1073/pnas.2109235119.
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Sakhrani, V. V.; Hilario, E.; Caulkins, B.G.; Hatcher-Skeers, M. E.; Fan, L.; Dunn, M. F.; Mueller, L. J. Backbone Assignments and Conformational Dynamics in the S. typhimurium Tryptophan Synthase α-Subunit from Solution-State NMR. J. Biomol. NMR 2020, 74, 341-354.
Before Keck
Long, J; Caulkins, B. G.; Mentink-Vigier, F.; Riviere, G.; Mueller, L. J.; Wang, X. Direct Dyamic Nuclear Polarization of 15N and 13C Spins at 14.1 T Using a Trityl Radical and Magic Angle Spinning. Solid State Nucl. Mag. 2019, 100, 85-91.
Caulkins, B. G.; Cervantes, S. A.; Isas, J. M.; Siemer, A. B. Dynamics of the Proline-Rich C-Terminus of Huntingtin Exon-1 Fibrils. J. Phys. Chem. B 2018, 122, 9507-9515.
Perez, L.; Caulkins, B. G.; Mettry, M.; Mueller, L. J.; Hooley, R. J. Lipid Bilayer Environments Control Guest Exchange Kinetics of Deep Cavitand Hosts and Enhance Disfavored Guest Conformations. Chem. Sci. 2018, 9, 1836-1845.
Perez, L.; Mettry, M.; Hinman, S. S.; Byers, S. R.; McKeating, K. S.; Caulkins, B. G.; Cheng, Q.; Hooley, R. J. Selective Protein Recognition in Supported Lipid Bilayer Arrays by Tailored, Dual-Mode Deep Cavitand Hosts. Soft Matter 2017, 13, 3966-3974.
Caulkins, B. G.; Young, R. P.; Kudla, R. A.; Yang, C.; Bittbauer, T. J.; Bastin, B.; Marsella, M. J.; Dunn, M. F.; Mueller, L. J. NMR Crystallography of a Carbanionic Intermediate in Tryptophan Synthase: Chemical Structure, Tautomerization, and Reaction Specificity. J. Am. Chem. Soc. 2016, 138, 15214-15226.
Hilario, E.; Caulkins, B. G.; Huang, Y. M.; You, W.; Chang, C. A.; Mueller, L. J.; Dunn, M. F.; Fan, L. Visualizing the Tunnel in Tryptophan Synthase with Crystallography: Insights into a Selective Filter for Accommodating Indole and Rejecting Water. BBA - Proteins Proteom. 2016, 1864, 268-279.
Huang, Y. M.; You, W.; Caulkins, B. G.; Dunn, M. F.; Mueller, L. J.; Chang, C. A. Protonation States and Catalysis: Molecular Dynamics Studies of Intermediates in Tryptophan Synthase. Protein Sci. 2016, 25, 166-183.
Young, R. P.; Caulkins, B. G.; Borchardt D.; Bulloch, D. N.; Larive, C. K.; Dunn, M. F.; Mueller, L. J. Solution-State 17O Quadrupole Central Transition NMR Spectroscopy in the Enzyme Active Site of Tryptophan Synthase. Angew. Chem., Int. Ed. 2016, 55, 1350-1354.
Hartman, J. D; Neubauer, T. J.; Caulkins, B. G.; Mueller, L. J.; Beran, G. J. O. Converging Nuclear Magnetic Shielding Calculations with Respect to Basis and System Size in Protein Systems. J.Biol. Mol. NMR 2015, 62, 327-340.
Caulkins, B. G; Yang, C.; Hilario, E.; Fan, L.; Dunn, M. F.; Mueller, L. J. Catalytic Roles of βLys87 in Tryptophan Synthase: 15N Solid State NMR Studies. BBA - Proteins Proteom. 2015, 1854, 1194-1199.
Caulkins, B. G.; Bastin, B.; Yang, C.; Neubauer, T. J.; Young, R. P.; Hilario, E.; Huang, Y. M.; Chang, C. A.; Fan, L.; Dunn, M. F.; Marsella, M. J.; Mueller, L. J. Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal-5'-Phosphate. J. Am. Chem. Soc. 2014, 136, 12824-12827.