nmr.bib

@article{nmr-simpson-2002,
 author={Bak, M. and Rasmussen, J. T. and Nielsen, N. C.},
 title={{SIMPSON:} {A} general simulation program for solid-state {NMR} spectroscopy},
 journal={J Magn. Reson.},
 volume={147},
 number={2},
 pages={296-330},
 year={2000},
 doi={10.1006/jmre.2000.2179}
}

@article{nmr-hsqc-1994,
author={Schleucher, J. and Schwendinger, M. and Sattler, M. and Schmidt, P. and Schedletzky, O. and Glaser, S.J. and S{\o}rensen, O. W. and Griesinger, C.},
title={A general enhancement scheme in heteronuclear multidimensional {NMR} employing pulsed field gradients},
journal={J. Biomolecular {NMR}},
volume={4},
number={2},
year={1994},
pages={301-306},
doi={10.1007/BF00175254},
}

@article{emsley-2009,
 author={Butler, M. C. and Dumez, J. N. and Emsley, L.},
 title={Dynamics of large nuclear-spin systems from low-order correlations in {Liouville} space},
 journal={Chem. Phys. Lett.},
 volume={477},
 number={4-6},
 pages={377-381},
 year={2009},
 doi={10.1016/j.cplett.2009.07.017}
}

@article{dumont-1997,
 author={Dumont, R. S. and Jain, S. and Bain, A.},
 title={Simulation of many-spin system dynamics via sparse matrix methodology},
 journal={J Chem. Phys.},
 volume={106},
 number={14},
 pages={5928-5936},
 year={1997},
 doi={10.1063/1.473258}
}

@article{spinach-2011,
 author={Hogben, H. J. and Krzystyniak, M. and Charnock, G. T. P. and Hore, P. J. and Kuprov, Ilya},
 title={{Spinach} --- {A} software library for simulation of spin dynamics in large spin systems},
 journal={J Magn. Reson.},
 volume={208},
 number={2},
 pages={179-194},
 year={2011},
 doi={10.1016/j.jmr.2010.11.008}
}

@article{spinevolution-2006,
 author={Veshtort, M. and  Griffin, R. G.},
 title={{SPINEVOLUTION}: {A} powerful tool for the simulation of solid and liquid state {NMR} experiments},
 journal={J Magn. Reson.},
 volume={178},
 number={2},
 pages={248-282},
 year={2006},
 doi={10.1016/j.jmr.2005.07.018}
}

@article{karabanov-acc-2011,
 author={Karabanov, A. and Kuprov, Ilya and Charnock, G. T. P. and  van der Drift, A. and Edwards, L. J. and K{\"o}ckenberger, W.},
 title={On the accuracy of the state space restriction approximation for spin dynamics simulations},
 journal={J Chem. Phys.},
 volume={135},
 number={8},
 pages={084106},
 year={2011},
 doi={10.1063/1.3624564}
}

@article{kuprov-2007,
 author={Kuprov, Ilya and Wagner-Rundell, N. and Hore, P. J.},
 title={Polynomially scaling spin dynamics simulation algorithm based on adaptive state-space restriction},
 journal={J Magn. Reson.},
 volume={189},
 number={2},
 pages={241-250},
 year={2007},
 doi={10.1016/j.jmr.2007.09.014}
}

@book{cavanagh-nmr-2007,
  title={Protein {NMR} spectroscopy: principles and practice},
  author={Cavanagh, John and Fairbrother, Wayne J and Palmer III, Arthur G and Skelton, Nicholas J},
  year={1995},
  publisher={Elsevier Academic Press}
}

@article{ernst-cogwheel-1997,
  title={A cog-wheel model for nuclear-spin propagation in solids},
  author={Br{\"u}schweiler, R. and Ernst, R. R.},
  journal={J. Magn. Reson.},
  volume={124},
  number={1},
  pages={122-126},
  year={1997},
  doi={10.1006/jmre.1996.1002}
}

@article{biomagresbank-2008,
  title={BioMagResBank},
  author={Ulrich, Eldon L and 
	  Akutsu, Hideo and 
 	  Doreleijers, Jurgen F and 
	  Harano, Yoko and 
	  Ioannidis, Yannis E and 
	  Lin, Jundong and 
	  Livny, Miron and 
	  Mading, Steve and 
	  Maziuk, Dimitri and 
	  Miller, Zachary and 
	  Nakatani, Eiichi and
  	  Schulte, Christopher F. and 
  	  Tolmie, David E. and 
   	  Wenger, R. Kent and
  	  Yao, Hongyang and
  	  Markley, John L.},
  journal={Nucleic acids research},
  volume={36},
  number={suppl 1},
  pages={D402-D408},
  year={2008},
  doi={10.1093/nar/gkm957}
}

@article{case-scalar-2000,
  title={Static and dynamic effects on vicinal scalar {J} couplings in proteins and peptides: a {MD/DFT} analysis},
  author={Case, David A and Scheurer, Christoph and Br{\"u}schweiler, Rafael},
  journal={J. Am. Chem. Soc.},
  volume={122},
  number={42},
  pages={10390-10397},
  year={2000},
  doi={10.1021/ja001798p}
}

@article{lohr-coupling-1999,
  title={Simultaneous Measurement of {$\left.^3J_{HN, H\alpha}\right.$} and {$\left.^3J_{H\alpha, H\beta}\right.$} Coupling Constants in {$\left.^{13}C\right.,\left.^{15}N\right.$}--Labeled Proteins},
  author={L{\"o}hr, Frank and Schmidt, J{\"u}rgen M and R{\"u}terjans, Heinz},
  journal={J. Am. Chem. Soc.},
  volume={121},
  number={50},
  pages={11821-11826},
  year={1999},
  doi={10.1021/ja991356h}
}

@article{perez-karplus-2001,
  title={Self-Consistent {Karplus} Parametrization of {$\left.^3J\right.$} Couplings Depending on the Polypeptide Side-Chain Torsion {$\xi_1$}},
  author={P{\'e}rez, Carlos and L{\"o}hr, Frank and R{\"u}terjans, Heinz and Schmidt, J{\"u}rgen M},
  journal={J. Am. Chem. Soc.},
  volume={123},
  number={29},
  pages={7081--7093},
  year={2001},
  doi={10.1021/ja003724j}
}

@article{vogeli-backbone-2007,
  title={Limits on variations in protein backbone dynamics from precise measurements of scalar couplings},
  author={V{\"o}geli, Beat and Ying, Jinfa and Grishaev, Alexander and Bax, Ad},
  journal={J. Am. Chem. Soc.},
  volume={129},
  number={30},
  pages={9377-9385},
  year={2007},
  doi={10.1021/ja070324o}
}

@article{wang-dihedral-1996,
  title={Determination of the backbone dihedral angles $\phi$ in human ubiquitin from reparametrized empirical Karplus equations},
  author={Wang, Andy C and Bax, Ad},
  journal={J. Am. Chem. Soc.},
  volume={118},
  number={10},
  pages={2483-2494},
  year={1996},
  doi={10.1021/ja9535524}
}

@article{barfield-allylic-1976,
  title={Allylic interproton spin--spin coupling},
  author={Barfield, Michael and Spear, Robert J and Sternhell, Sever},
  journal={Chem. Rev.},
  volume={76},
  number={5},
  pages={593--624},
  year={1976},
  doi={10.1021/cr60303a003}
}

@article{hansen-CH-1981,
  title={Carbon--hydrogen spin--spin coupling constants},
  author={Hansen, Poul Erik},
  journal={Progress in {NMR} Spectroscopy},
  volume={14},
  number={4},
  pages={175-295},
  year={1981},
  doi={10.1016/0079-6565(81)80001-5}
}

@article{krivdin-CC-1991,
  title={Spin--spin coupling constants between carbons separated by more than one bond},
  author={Krivdin, Leonid B and Della, Ernest W},
  journal={Progress in {NMR} Spectroscopy},
  volume={23},
  number={4},
  pages={301-610},
  year={1991},
  doi={10.1016/0079-6565(91)80004-L}
}

@article{bodenhausen-abundance-1980,
  title={Natural abundance nitrogen-15 {NMR} by enhanced heteronuclear spectroscopy},
  author={Bodenhausen, Geoffrey and Ruben, David J},
  journal={Chem. Phys. Lett.},
  volume={69},
  number={1},
  pages={185--189},
  year={1980},
  doi={10.1016/0009-2614(80)80041-8}
}

@article{kay-single-1992,
  title={Pure absorption gradient enhanced heteronuclear single quantum correlation spectroscopy with improved sensitivity},
  author={Kay, Lewis and Keifer, Paul and Saarinen, Tim},
  journal={J. Am. Chem. Soc.},
  volume={114},
  number={26},
  pages={10663--10665},
  year={1992},
  doi={10.1021/ja00052a088}
}

@article{kupce-wurst-1995,
  title={Stretched adiabatic pulses for broadband spin inversion},
  author={Kupce, {\=E}riks and Freeman, Ray},
  journal={J Magn. Reson. A},
  volume={117},
  number={2},
  pages={246--256},
  year={1995},
  doi={10.1006/jmra.1995.0750}
}

@book{ernst-nmr-1987,
  title={Principles of nuclear magnetic resonance in one and two dimensions},
  author={Ernst, Richard R and Bodenhausen, Geoffrey and Wokaun, Alexander},
  volume={14},
  year={1987},
  publisher={Clarendon Press Oxford}
}

@article{moro-FP-1981,
   author = {Moro, G. and Freed, J. H.},
   title = {Calculation of {ESR} spectra and related {F}okker-{P}lanck forms by the use of the {L}anczos algorithm},
   journal = {J. Chem. Phys.},
   year = {1981},
   volume = {74},
   number = {7},
   pages = {3757-3773},
   doi = {10.1063/1.441604},
}


@article{ramsey-shield-1950,
  title={Magnetic shielding of nuclei in molecules},
  author={Ramsey, Norman F},
  journal={Phys. Rev.},
  volume={78},
  number={6},
  pages={699},
  year={1950},
  doi={10.1103/PhysRev.78.699}
}

@article{ramsey-spincoupling-1953,
  title={Electron coupled interactions between nuclear spins in molecules},
  author={Ramsey, Norman F},
  journal={Phys. Rev.},
  volume={91},
  number={2},
  pages={303},
  year={1953},
  doi={10.1103/PhysRev.91.303}
}


@article{kay-nmr3-1990,
  title={Three-dimensional triple-resonance {NMR} spectroscopy of isotopically enriched proteins},
  author={Kay, Lewis E and Ikura, Mitsuhiko and Tschudin, Rolf and Bax, Ad},
  journal={J. Magn. Reson. (1969)},
  volume={89},
  number={3},
  pages={496-514},
  year={1990},
  doi={10.1016/0022-2364(90)90333-5}
}

@article{bax-nmr3-1991,
  title={An efficient {3D NMR} technique for correlating the proton and {$\left.^{15}N\right.$} backbone amide resonances with the $\alpha$-carbon of the preceding residue in uniformly {$\left.^{15}N\right.$/$\left.^{13}C\right.$} enriched proteins},
  author={Bax, Ad and Ikura, Mitsuhiko},
  journal={J. Biomolecular {NMR}},
  volume={1},
  number={1},
  pages={99-104},
  year={1991},
  doi={10.1007/BF01874573}
}

@manual{tt-toolbox,
 title={TT-Toolbox},
 author={Oseledets, Ivan and Dolgov, Sergey and Savostyanov, Dmitry and Kazeev, Vladimir and Mach, Thomas and Lebedeva, Olga and Zhlobich, Pavel},
 url={http://github.com/oseledets/TT-Toolbox},
}