Publications

Hesam Dashti, Jonathan R. Wedell, William M. Westler, Marco Tonelli, David Aceti, Gaya K. Amarasinghe, John L. Markley, and Hamid R. Eghbalnia, “Applications of Parametrized NMR Spin Systems of Small Molecules”, Analytical Chemistry, 2018.
  DOI: https://doi.org/10.1021/acs.analchem.8b02660

Kai Cai, Ronnie O Frederick, Hesam Dashti, John L Markley, “Architectural Features of Human Mitochondrial Cysteine Desulfurase Complexes from Crosslinking Mass Spectrometry and Small Angle X-ray Scattering”, Structure, 2018, 26:8. 
  DOI: https://doi.org/10.1016/j.str.2018.05.017

Marion Pupier, Jean‐Marc Nuzillard, Julien Wist, Nils E Schlörer, Stefan Kuhn, Mate Erdelyi, Christoph Steinbeck, Antony J Williams, Craig Butts, Tim DW Claridge, Bozhana Mikhova, Wolfgang Robien, Hesam Dashti, Hamid R Eghbalnia, Christophe Farès, Christian Adam, Kessler Pavel, Fabrice Moriaud, Mikhail Elyashberg, Dimitris Argyropoulos, Manuel Pérez, Patrick Giraudeau, Roberto R Gil, Paul Trevorrow, Damien Jeannerat, “NMReDATA, a standard to report the NMR assignment and parameters of organic compounds”, Magnetic Resonance in Chemistry, April, 2018.
  DOI: https://doi.org/10.1002/mrc.4737

Zambrello, M.A, Schuyler, A.D., Maciejewski, M.W. Delaglio, F, Bezsonova, I., & Hoch, J.C. (2018) Nonuniform Sampling in Multidimensional NMR for Improving Spectral Sensitivity. Methods. (in press)
  DOI: https://doi.org/10.1016/j.ymeth.2018.03.001

Masison, J., Michalski, P.J., Loew, L.M. & Schuyler, A.D. (2018) mol2sphere: Spherical Decomposition of Multi-Domain Molecules for Visualization and Coarse Grained Spatial Modeling, bioRxiv.  
  DOI: http://dx.doi.org/10.1101/257857

Maciejewski, M.W., Schuyler, A.D. & Hoch, J.C. (2018) Practical Nonuniform Sampling and Non-Fourier Spectral Reconstruction for Multidimensional NMR. Protein NMR: Methods and Protocols, 341-352.
  DOI: https://doi.org/10.1007/978-1-4939-7386-6_15

Dashti, H., Westler, W.M., Tonelli, M., Wedell, J.R., Markley, J.L., & Eghbalnia, H.R. (2017) Spin System Modeling of Nuclear Magnetic Resonance Spectra for Applications in Metabolomics and Small Molecule Screening. Analytical Chemistry, 89, 12201-12208.
  DOI: 10.1021/acs.analchem.7b02884

Dashti, H., Westler, W.M., Markley, J.L., & Eghbalnia, H.R. (2017) Unique identifiers for small molecules enable rigorous labeling of their atoms. Scientific Data 4.
  DOI: 10.1038/sdata.2017.73

Gryk, M.R. & Ludäscher, B. (2017) Workflows and Provenance: Toward Information Science Solutions for the Natural Sciences. Library Trends, 65, 555-562.
  DOI: 10.1353/lib.2017.0018

Maciejewski, M.W., Schuyler, A.D., Gryk, M.R., Moraru, I.I., Romero, P.R., Ulrich, E.L., Eghbalnia, H.R., Livny, M., Delaglio, F., & Hoch, J.C. (2017) NMRbox: A Resource for Biomolecular NMR Computation. Biophysical Journal, 112, 1529-1534.
  DOI: http://dx.doi.org/10.1016/j.bpj.2017.03.011

Monajemi, H., Donoho, D.L., Hoch, J.C., & Schuyler, A.D. (2017) Incoherence of Partial-Component Sampling in multidimensional NMR. arXiv, 1702.01830. 
  arXiv: https://arxiv.org/abs/1702.01830

Fenwick M, Hoch JC, Ulrich E, Gryk MR. (2015) CONNJUR R: an annotation strategy for fostering reproducibility in bio-NMR-protein spectral assignment. J Biomol NMR. 63, 141-50. 
  DOI: http://dx.doi.org/10.1007/s10858-015-9964-1