Publications

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.  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. 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: 10.1007/s10858-015-9964-1