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NMRhub: An NMR Data Ecosystem Spanning the Complete Data Lifecycle.
Maciejewski, Mark W; Baskaran, Kumaran; Yao, Hongyang; Eghbalnia, Hamid; Kurisu, Genji; Yokochi, Masashi; Schuyler, Adam D; Bontempi, Christopher; Wedell, Jonathan R; Weatherby, Gerard; Burr, Harrison; Pustovalova, Yulia; Pozhidaeva, Alexandra; Thongdee, Seenat; Gryk, Michael R; Courtney, Joseph M; Cheng, Qi; Wilson, Michael P; Moraru, Ion I; Simon, Bernd; Byrd, R Andrew; Morris, Laura; Glushka, John N; Grimes, John H; Uchimiya, Mario; Eletsky, Alexander; Moore, Abigail E; Paterson, Alexander L; Wang, Songlin; Pinheiro, Paulo R; Vanderloop, Boden; Livny, Miron; Henzler-Wildman, Katherine; Edison, Arthur S; Rienstra, Chad M; Hoch, Jeffrey C Journal of molecular biology 2026 Mar;169769
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Evaluating metrics of spectral quality in nonuniform sampling
D. Levi Love, Michael R. Gryk, Adam D. Schuyler Journal of Magnetic Resonance Open 2025 Jun;23100187
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Overcoming potential obstacles as we strive for frictionless reproducibility
Adam D Schuyler Harvard Data Science Review 2024 Apr;6(1):
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nus-tool: A unified program for generating and analyzing sample schedules for nonuniformly sampled NMR experiments.
Craft, D Levi; Schuyler, Adam D Journal of magnetic resonance (San Diego, Calif. : 1997) 2023 Jul;352107458
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NUScon: a community-driven platform for quantitative evaluation of nonuniform sampling in NMR
Pustovalova,Y. and Delaglio,F. and Craft,D. L. and Arthanari,H. and Bax,A. and Billeter,M. and Bostock,M. J. and Dashti,H. and Hansen,D. F. and Hyberts,S. G. and Johnson,B. A. and Kazimierczuk,K. and Lu,H. and Maciejewski,M. and Miljenovi\'c,T. M. and Mobli,M. and Nietlispach,D. and Orekhov,V. and Powers,R. and Qu,X. and Robson,S. A. and Rovnyak,D. and Wagner,G. and Ying,J. and Zambrello,M. and Hoch,J. C. and Donoho,D. L. and Schuyler,A. D. Magnetic Resonance 2021 Nov;2843-861
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Merging NMR Data and Computation Facilitates Data-Centered Research.
Baskaran, Kumaran; Craft, D Levi; Eghbalnia, Hamid R; Gryk, Michael R; Hoch, Jeffrey C; Maciejewski, Mark W; Schuyler, Adam D; Wedell, Jonathan R; Wilburn, Colin W Frontiers in molecular biosciences 2021 Nov;8817175
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Anomalous amide proton chemical shifts as signatures of hydrogen bonding to aromatic sidechains
Kumaran Baskaran, Colin W. Wilburn, Jonathan R. Wedell, Leonardus M. I. Koharudin, Eldon L. Ulrich, Adam D. Schuyler, Hamid R. Eghbalnia, Angela M. Gronenborn, Jeffrey C. Hoch Magnetic Resonance 2021 Oct;2(2):765-775
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The influence of the probability density function on spectral quality in nonuniformly sampled multidimensional NMR.
Zambrello, Matthew A; Craft, D Levi; Hoch, Jeffrey C; Rovnyak, David; Schuyler, Adam D Journal of magnetic resonance (San Diego, Calif. : 1997) 2019 Dec;311106671
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Advances in alternative sampling and processing
David Rovnyak
Adam Schuyler Concepts Magn Reson Part A 2018 Sep;46A(2):e21458
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mol2sphere: Spherical Decomposition of Multi-Domain Molecules for Visualization and Coarse Grained Spatial Modeling.
Masison, Joseph; Michalski, Paul J; Loew, Leslie M; Schuyler, Adam D Bioinformatics (Oxford, England) 2018 Jun;343948-3950
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Nonuniform sampling in multidimensional NMR for improving spectral sensitivity.
Zambrello, Matthew A; Schuyler, Adam D; Maciejewski, Mark W; Delaglio, Frank; Bezsonova, Irina; Hoch, Jeffrey C Methods (San Diego, Calif.) 2018 Mar;138-13962-68
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Preliminary Comparison of Non-Fourier Methods for Spectrum Analysis of Nonuniformly Sampled NMR Data.
Maciejewski, M.W., Dashti, H., Zambrello, M.A., Schuyler, A.D., Mobli, M., Eghbalnia, H.R., Delaglio, F., Stern, A.S., & Hoch, J.C. Nist.gov Publications 2018 Jan;
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Practical Nonuniform Sampling and Non-Fourier Spectral Reconstruction for Multidimensional NMR.
Maciejewski, Mark W; Schuyler, Adam D; Hoch, Jeffrey C Methods in molecular biology (Clifton, N.J.) 2018 Jan;1688341-352
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Robust and transferable quantification of NMR spectral quality using IROC analysis.
Zambrello, Matthew A; Maciejewski, Mark W; Schuyler, Adam D; Weatherby, Gerard; Hoch, Jeffrey C Journal of magnetic resonance (San Diego, Calif. : 1997) 2017 Oct;28537-46
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NMRbox: A Resource for Biomolecular NMR Computation.
Maciejewski, Mark W; Schuyler, Adam D; Gryk, Michael R; Moraru, Ion I; Romero, Pedro R; Ulrich, Eldon L; Eghbalnia, Hamid R; Livny, Miron; Delaglio, Frank; Hoch, Jeffrey C Biophysical journal 2017 Apr;112(8):1529-1534
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Nonuniform sampling of hypercomplex multidimensional NMR experiments: Dimensionality, quadrature phase and randomization.
Schuyler, Adam D; Maciejewski, Mark W; Stern, Alan S; Hoch, Jeffrey C Journal of magnetic resonance (San Diego, Calif. : 1997) 2015 May;254121-30
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Nonuniform sampling and maximum entropy reconstruction in multidimensional NMR.
Hoch, Jeffrey C; Maciejewski, Mark W; Mobli, Mehdi; Schuyler, Adam D; Stern, Alan S Accounts of chemical research 2014 Jan;47(2):708-17
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Formalism for hypercomplex multidimensional NMR employing partial-component subsampling.
Schuyler, Adam D; Maciejewski, Mark W; Stern, Alan S; Hoch, Jeffrey C Journal of magnetic resonance (San Diego, Calif. : 1997) 2013 Feb;22720-4
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Sparse sampling methods in multidimensional NMR.
Mobli, Mehdi; Maciejewski, Mark W; Schuyler, Adam D; Stern, Alan S; Hoch, Jeffrey C Physical chemistry chemical physics : PCCP 2012 Aug;14(31):10835-43
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Data sampling in multidimensional NMR: fundamentals and strategies.
Maciejewski, Mark W; Mobli, Mehdi; Schuyler, Adam D; Stern, Alan S; Hoch, Jeffrey C Topics in current chemistry 2012 Jan;31649-77
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Random phase detection in multidimensional NMR.
Maciejewski, Mark W; Fenwick, Matthew; Schuyler, Adam D; Stern, Alan S; Gorbatyuk, Vitaliy; Hoch, Jeffrey C Proceedings of the National Academy of Sciences of the United States of America 2011 Oct;108(40):16640-4
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Knowledge-based nonuniform sampling in multidimensional NMR.
Schuyler, Adam D; Maciejewski, Mark W; Arthanari, Haribabu; Hoch, Jeffrey C Journal of biomolecular NMR 2011 Jul;50(3):247-62
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Computational methods for identifying a layered allosteric regulatory mechanism for ALS-causing mutations of Cu-Zn superoxide dismutase 1.
Schuyler, Adam D; Carlson, Heather A; Feldman, Eva L Proteins 2011 Feb;79(2):417-27
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Literature-based discovery of diabetes- and ROS-related targets.
Hur, Junguk; Sullivan, Kelli A; Schuyler, Adam D; Hong, Yu; Pande, Manjusha; States, David J; Jagadish, H V; Feldman, Eva L BMC medical genomics 2010 Jan;349
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Computational methods for predicting sites of functionally important dynamics.
Schuyler, Adam D; Carlson, Heather A; Feldman, Eva L The journal of physical chemistry. B 2009 May;113(19):6613-22
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Insulin-like growth factor-I for the treatment of amyotrophic lateral sclerosis.
Sakowski, Stacey A; Schuyler, Adam D; Feldman, Eva L Amyotrophic lateral sclerosis : official publication of the World Federation of Neurology Research Group on Motor Neuron Diseases 2009 Apr;10(2):63-73
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SciMiner: web-based literature mining tool for target identification and functional enrichment analysis.
Hur, Junguk; Schuyler, Adam D; States, David J; Feldman, Eva L Bioinformatics (Oxford, England) 2009 Mar;25(6):838-40
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Iterative cluster-NMA: A tool for generating conformational transitions in proteins.
Schuyler, Adam D; Jernigan, Robert L; Qasba, Pradman K; Ramakrishnan, Boopathy; Chirikjian, Gregory S Proteins 2009 Feb;74(3):760-76
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Strategic approaches to developing drug treatments for ALS.
Vincent, Andrea M; Sakowski, Stacey A; Schuyler, Adam; Feldman, Eva L Drug discovery today 2008 Jan;13(1-2):67-72
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Efficient determination of low-frequency normal modes of large protein structures by cluster-NMA.
Schuyler, Adam D; Chirikjian, Gregory S Journal of molecular graphics & modelling 2005 Sep;24(1):46-58
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A Dual Approach to Triangle Sequences: A Multidimensional Continued
Fraction Algorithm
S. Assaf, L. Chen, T. Cheslack-Postava, B. Cooper, A. Diesl, T. Garrity, M. Lepinski and A. Schuyler INTEGERS: The Electronic Journal of Combinatorial Number Theory 2005 Jun;5(1):A8
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Random-walk statistics in moment-based O(N) tight binding and applications in carbon nanotubes.
Schuyler, Adam D; Chirikjian, G S; Lu, Jun-Qiang; Johnson, H T Physical review. E, Statistical, nonlinear, and soft matter physics 2005 Apr;71(4 Pt 2):046701
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Normal mode analysis of proteins: a comparison of rigid cluster modes with C(alpha) coarse graining.
Schuyler, Adam D; Chirikjian, Gregory S Journal of molecular graphics & modelling 2004 Jan;22(3):183-93