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Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles.
Molecules. 2023 Jan 23;28(3):1144. doi: 10.3390/molecules28031144.
Molecules. 2023.
PMID: 36770811
Free PMC article.
Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution.
Capelli R, Menke AJ, Pan H, Janesko BG, Simanek EE, Pavan GM.
Capelli R, et al. Among authors: menke aj.
ACS Omega. 2022 Aug 8;7(34):30291-30296. doi: 10.1021/acsomega.2c03536. eCollection 2022 Aug 30.
ACS Omega. 2022.
PMID: 36061685
Free PMC article.
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A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation.
Menke AJ, Gloor CJ, Claton LE, Mekhail MA, Pan H, Stewart MD, Green KN, Reibenspies JH, Pavan GM, Capelli R, Simanek EE.
Menke AJ, et al.
J Org Chem. 2023 Mar 3;88(5):2692-2702. doi: 10.1021/acs.joc.2c01984. Epub 2023 Feb 13.
J Org Chem. 2023.
PMID: 36780253
Free PMC article.
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Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges.
Menke AJ, Mellberg JM, Pan H, Reibenspies JH, Janesko BG, Simanek EE.
Menke AJ, et al.
Chemistry. 2023 Aug 4;29(44):e202300987. doi: 10.1002/chem.202300987. Epub 2023 Jul 7.
Chemistry. 2023.
PMID: 37229593
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Adaptation of Empirical Methods to Predict the LogD of Triazine Macrocycles.
Patterson-Gardner CJ, Pavelich GM, Cannon AT, Menke AJ, Simanek EE.
Patterson-Gardner CJ, et al. Among authors: menke aj.
ACS Med Chem Lett. 2023 Sep 8;14(10):1378-1382. doi: 10.1021/acsmedchemlett.3c00290. eCollection 2023 Oct 12.
ACS Med Chem Lett. 2023.
PMID: 37849549
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Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH.
Menke AJ, Jacobus ZP, Claton LE, Annunziata O, Capelli R, Pavan GM, Simanek EE.
Menke AJ, et al.
J Org Chem. 2024 Feb 16;89(4):2467-2473. doi: 10.1021/acs.joc.3c02495. Epub 2024 Feb 1.
J Org Chem. 2024.
PMID: 38299798
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Multinuclear 1 H/13 C/15 N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance.
Menke AJ, Chen F, Chen K.
Menke AJ, et al.
Magn Reson Chem. 2024 Feb 13. doi: 10.1002/mrc.5436. Online ahead of print.
Magn Reson Chem. 2024.
PMID: 38351244
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