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  1. No Access

    Article

    NMR in integrated biophysical drug discovery for RAS: past, present, and future

    Mutations in RAS oncogenes occur in ~ 30% of human cancers, with KRAS being the most frequently altered isoform. RAS proteins comprise a conserved GTPase domain and a C-terminal lipid-modified tail that is uni...

    Christopher B. Marshall, Fenneke KleinJan in Journal of Biomolecular NMR (2020)

  2. No Access

    Article

    NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide–dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei

    The presence of suitable cavities or pockets on protein structures is a general criterion for a therapeutic target protein to be classified as ‘druggable’. Many disease-related proteins that function solely th...

    Stefan Nebl, Wesam S. Alwan, Martin L. Williams in Journal of Biomolecular NMR (2020)

  3. Article

    Open Access

    Two-dimensional NMR lineshape analysis of single, multiple, zero and double quantum correlation experiments

    NMR spectroscopy provides a powerful approach for the characterisation of chemical exchange and molecular interactions by analysis of series of experiments acquired over the course of a titration measurement. ...

    Christopher A. Waudby, Margaux Ouvry, Ben Davis in Journal of Biomolecular NMR (2020)

  4. No Access

    Article

    1H, 13C, and 15N backbone resonance assignments for KPC-2, a class A serine-β-lactamase

    The ever-increasing occurrence of antibiotic resistance presents a major threat to public health. Specifically, resistance conferred by β-lactamases places the efficacy of currently available antibiotics at ri...

    Jamie VanPelt, Ben A. Shurina, Theresa A. Ramelot in Biomolecular NMR Assignments (2019)

  5. Article

    Open Access

    Charge transport in a DNA model with solvent interaction

    The charge transport in the modified DNA model is studied by taking into account the factor of solvent and the effect of coupling motions of nucleotides. We report on the presence of the modulational instabili...

    H. Ngoubi, G. H. Ben-Bolie, T. C. Kofané in Journal of Biological Physics (2018)

  6. Article

    Open Access

    Charge transport in DNA model with vibrational and rotational coupling motions

    The dynamics of the Peyrard-Bishop model for vibrational motion of DNA dynamics, which has been extended by taking into account the rotational motion for the nucleotides (Silva et al., J. Biol. Phys. 34, 511–519,...

    H. Ngoubi, G. H. Ben-Bolie, T. C. Kofané in Journal of Biological Physics (2017)

  7. No Access

    Article

    Multi-ion versus single-ion conduction mechanisms can yield current rectification in biological ion channels

    There is clear evidence that the net magnitude of negative charge at the intracellular end of inwardly rectifying potassium channels helps to generate an asymmetry in the magnitude of the current that will pas...

    Tamsyn A. Hilder, Ben Corry, Shin-Ho Chung in Journal of Biological Physics (2014)

  8. No Access

    Article

    Backbone 1H, 13C, and 15N chemical shift assignment for HIV-1 protease subtypes and multi-drug resistant variant MDR 769

    HIV-1 protease (HIV-1PR) is an essential drug target in the treatment of patients infected with HIV-1. Mutations are found to arise in over 38 of 99 amino acid sites in this protein in response to drug therapy...

    ** Huang, Ian Mitchelle S. de Vera, Angelo M. Veloro in Biomolecular NMR Assignments (2013)

  9. No Access

    Article

    1H, 13C, and 15N chemical shift assignments for PfPMT, a phosphoethanolamine methyltransferase from Plasmodium falciparum

    Phosphoethanolamine methyltransferases (PMTs also known as PEAMTs) catalyze the three-step s-adenosyl-methionione-dependent methylation of phosphoethanolamine to form phosphocholine. These enzymes play an impo...

    Irina Bezsonova, Iulian Rujan, April M. Bobenchik in Biomolecular NMR Assignments (2013)

  10. Article

    Erratum to: Glutamate regulation of calcium and IP3 oscillating and pulsating dynamics in astrocytes

    Maurizio De Pittà, Mati Goldberg, Vladislav Volman in Journal of Biological Physics (2010)

  11. No Access

    Article

    Glutamate regulation of calcium and IP3 oscillating and pulsating dynamics in astrocytes

    Recent years have witnessed an increasing interest in neuron–glia communication. This interest stems from the realization that glia participate in cognitive functions and information processing and are involve...

    Maurizio De Pittà, Mati Goldberg, Vladislav Volman in Journal of Biological Physics (2009)

  12. No Access

    Article

    Sequence specific 1H, 13C and15 N resonance assignment of rat CD2 domain 1

    Ho A. Chen, Mark Pfuhl, Ben Davis, Paul C. Driscoll in Journal of Biomolecular NMR (1998)

  13. No Access

    Article

    An approach to global fold determination using limited NMR data from larger proteins selectively protonated at specific residue types

    A combination of calculation and experiment is used to demonstrate that the global fold of larger proteins can be rapidly determined using limited NMR data. The approach involves a combination of heteronuclear...

    Brian O. Smith, Yutaka Ito, Andrew Raine, Sarah Teichmann in Journal of Biomolecular NMR (1996)

  14. No Access

    Article

    Wave-separation in complex systems. Application to brain-signals

    A departure from single-system dynamics, that may arise in characterizing self-organized dynamics of complex systems, is dealt with by using the Karhunen-Loève expansion of the trajectory matrix to decompose a...

    R. Cerf, M. Ould Hénoune, M. L. Ben Matti, E. H. El Ousdad in Journal of Biological Physics (1993)