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Tag Archives: Macrocycles
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E. A. Coutsias, K. W. Lexa, M. J. Wester, S. N. Pollock, and M. P. Jacobson. “Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics”, J. Chem. Theory. Comput., 12 (2016) 4674-4687. Pubmed PMC5465426
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C. L. Ahlbach, K. W. Lexa, A. T. Bockus, V. Chen, P. Crews, M. P. Jacobson, and R. S. Lokey. “Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products”, Future Medicinal Chemistry, 7 (2015) 2121-2130. Pubmed
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J. Schwochert, R. Turner, M. Thang, R. Berkeley, A. Ponkey, K. M. Rodriguez, S. S. S. Leung, B. Khunte, C. Limberakis, A. S. Kalgutkar, H. Eng, M. J. Shapiro, A. M. Mathiowetz, D. A. Price, S. Liras, M. P. Jacobson, and R. S. Lokey. “Peptide to peptoid substitutions increase cellular permeability in cyclic hexapeptides”, Org. Lett., 17 (2015) 2928-2931. Pubmed
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T. R. White, C. M. Renzelman, A. C. Rand, T. Rezai, C. M. McEwen, V. M. Gelev, R. A. Turner, A. C. Rand, R. G. Linington, S. S. F. Leung, A. S. Kalgutkar, J. N. Bauman, Y. Zhang, S. Liras, D. A. Price, A. M. Mathiowetz, M. P. Jacobson, and R. S. Lokey. “On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds”, Nature Chemical Biology, 7 (2011) 810-817. PMC3210067. [Discussed in SciBX 4 (2011).] F1000
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T. Rezai, J. E. Bock, M. Vong, C. Kalyanaraman, R. S. Lokey, and M. P. Jacobson. “Conformational Flexibility, Internal Hydrogen Bonding, and Passive Membrane Permeability: Successful In Silico Prediction of the Relative Permeabilities of Cyclic Peptides”, JACS, 128 (2006) 14073–14080. Online
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T. Rezai, B. Yu, G. L. Millhauser, M. P. Jacobson, and R. S. Lokey. “Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers”, JACS, 128 (2006) 2510–2511. Online