IBBR Publications

Found 94 results
Filters: Keyword is Magnetic Resonance Spectroscopy  [Clear All Filters]
2020
Tyukhtenko S, Ma X, Rajarshi G, Karageorgos I, Anderson KW, Hudgens JW, Guo JJ, Nasr ML, Zvonok N, Vemuri K, et al. Conformational gating, dynamics and allostery in human monoacylglycerol lipase. Sci Rep. 2020 ;10(1):18531.
2019
Briggs KT, Taraban MB, Wang W, Y Yu B. Nondestructive Quantitative Inspection of Drug Products Using Benchtop NMR Relaxometry-the Case of NovoMix® 30. AAPS PharmSciTech. 2019 ;20(5):189.
2017
Taraban MB, DePaz RA, Lobo B, Y Yu B. Water Proton NMR: A Tool for Protein Aggregation Characterization. Anal Chem. 2017 ;89(10):5494-5502.
2015
Venditti V, Schwieters CD, Grishaev A, G Clore M. Dynamic equilibrium between closed and partially closed states of the bacterial Enzyme I unveiled by solution NMR and X-ray scattering. Proc Natl Acad Sci U S A. 2015 ;112(37):11565-70.
2014
Patel DS, Pendrill R, Mallajosyula SS, Widmalm G, Mackerell AD. Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments. J Phys Chem B. 2014 ;118(11):2851-71.
Mihailescu M, Krepkiy D, Milescu M, Gawrisch K, Swartz KJ, White S. Structural interactions of a voltage sensor toxin with lipid membranes. Proc Natl Acad Sci U S A. 2014 ;111(50):E5463-70.
2013
Jung K-Y, Vanommeslaeghe K, Lanning ME, Yap JL, Gordon C, Wilder PT, Mackerell AD, Fletcher S. Amphipathic α-helix mimetics based on a 1,2-diphenylacetylene scaffold. Org Lett. 2013 ;15(13):3234-7.
Huang J, Mackerell AD. CHARMM36 all-atom additive protein force field: validation based on comparison to NMR data. J Comput Chem. 2013 ;34(25):2135-45.
Hartman KG, McKnight LE, Liriano MA, Weber DJ. The evolution of S100B inhibitors for the treatment of malignant melanoma. Future Med Chem. 2013 ;5(1):97-109.
Lakomek N-A, Kaufman JD, Stahl SJ, Louis JM, Grishaev A, Wingfield PT, Bax A. Internal dynamics of the homotrimeric HIV-1 viral coat protein gp41 on multiple time scales. Angew Chem Int Ed Engl. 2013 ;52(14):3911-5.
Deshmukh L, Schwieters CD, Grishaev A, Ghirlando R, Baber JL, G Clore M. Structure and dynamics of full-length HIV-1 capsid protein in solution. J Am Chem Soc. 2013 ;135(43):16133-47.
2012
Yap JL, Cao X, Vanommeslaeghe K, Jung K-Y, Peddaboina C, Wilder PT, Nan A, Mackerell AD, W Smythe R, Fletcher S. Relaxation of the rigid backbone of an oligoamide-foldamer-based α-helix mimetic: identification of potent Bcl-xL inhibitors. Org Biomol Chem. 2012 ;10(15):2928-33.
Petty A, Myshkin E, Qin H, Guo H, Miao H, Tochtrop GP, Hsieh J-T, Page P, Liu L, Lindner DJ, et al. A small molecule agonist of EphA2 receptor tyrosine kinase inhibits tumor cell migration in vitro and prostate cancer metastasis in vivo. PLoS One. 2012 ;7(8):e42120.
2011
Hatcher E, Säwén E, Widmalm G, Mackerell AD. Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides. J Phys Chem B. 2011 ;115(3):597-608.
Mallajosyula SS, Mackerell AD. Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides. J Phys Chem B. 2011 ;115(38):11215-29.
Chen Y, Apolinario E, Brachova L, Kelman Z, Li Z, Nikolau BJ, Showman L, Sowers K, Orban J. A nuclear magnetic resonance based approach to accurate functional annotation of putative enzymes in the methanogen Methanosarcina acetivorans. BMC Genomics. 2011 ;12 Suppl 1:S7.
Brinson RG, Szakal AL. Structural characterization of the viral and cRNA panhandle motifs from the infectious salmon anemia virus. J Virol. 2011 ;85(24):13398-408.
2010
E Raman P, Guvench O, Mackerell AD. CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses. J Phys Chem B. 2010 ;114(40):12981-94.
Yao L, Grishaev A, Cornilescu G, Bax A. The impact of hydrogen bonding on amide 1H chemical shift anisotropy studied by cross-correlated relaxation and liquid crystal NMR spectroscopy. J Am Chem Soc. 2010 ;132(31):10866-75.
Rais R, Acharya C, Tririya G, Mackerell AD, Polli JE. Molecular switch controlling the binding of anionic bile acid conjugates to human apical sodium-dependent bile acid transporter. J Med Chem. 2010 ;53(12):4749-60.
Chen K, Delaglio F, Tjandra N. A practical implementation of cross-spectrum in protein backbone resonance assignment. J Magn Reson. 2010 ;203(2):208-12.
Yao L, Grishaev A, Cornilescu G, Bax A. Site-specific backbone amide (15)N chemical shift anisotropy tensors in a small protein from liquid crystal and cross-correlated relaxation measurements. J Am Chem Soc. 2010 ;132(12):4295-309.
Mittag T, Marsh J, Grishaev A, Orlicky S, Lin H, Sicheri F, Tyers M, Forman-Kay JD. Structure/function implications in a dynamic complex of the intrinsically disordered Sic1 with the Cdc4 subunit of an SCF ubiquitin ligase. Structure. 2010 ;18(4):494-506.
2009
Grishaev A, Yao L, Ying J, Pardi A, Bax A. Chemical shift anisotropy of imino 15N nuclei in Watson-Crick base pairs from magic angle spinning liquid crystal NMR and nuclear spin relaxation. J Am Chem Soc. 2009 ;131(27):9490-1.
Joseph KS, Moser AC, Basiaga SBG, Schiel JE, Hage DS. Evaluation of alternatives to warfarin as probes for Sudlow site I of human serum albumin: characterization by high-performance affinity chromatography. J Chromatogr A. 2009 ;1216(16):3492-500.