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Tools for Enhanced NMR-Based Metabolomics Analysis.
Markley JL, Dashti H, Wedell JR, Westler WM, Eghbalnia HR. Markley JL, et al. Among authors: wedell jr. Methods Mol Biol. 2019;2037:413-427. doi: 10.1007/978-1-4939-9690-2_23. Methods Mol Biol. 2019. PMID: 31463858 Free PMC article.
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries.
Doreleijers JF, Vranken WF, Schulte C, Lin J, Wedell JR, Penkett CJ, Vuister GW, Vriend G, Markley JL, Ulrich EL. Doreleijers JF, et al. Among authors: wedell jr. J Biomol NMR. 2009 Dec;45(4):389-96. doi: 10.1007/s10858-009-9378-z. Epub 2009 Oct 7. J Biomol NMR. 2009. PMID: 19809795 Free PMC article.
NMR Exchange Format: a unified and open standard for representation of NMR restraint data.
Gutmanas A, Adams PD, Bardiaux B, Berman HM, Case DA, Fogh RH, Güntert P, Hendrickx PM, Herrmann T, Kleywegt GJ, Kobayashi N, Lange OF, Markley JL, Montelione GT, Nilges M, Ragan TJ, Schwieters CD, Tejero R, Ulrich EL, Velankar S, Vranken WF, Wedell JR, Westbrook J, Wishart DS, Vuister GW. Gutmanas A, et al. Among authors: wedell jr. Nat Struct Mol Biol. 2015 Jun;22(6):433-4. doi: 10.1038/nsmb.3041. Nat Struct Mol Biol. 2015. PMID: 26036565 Free PMC article. No abstract available.
MolProbity for the masses-of data.
Chen VB, Wedell JR, Wenger RK, Ulrich EL, Markley JL. Chen VB, et al. Among authors: wedell jr. J Biomol NMR. 2015 Sep;63(1):77-83. doi: 10.1007/s10858-015-9969-9. Epub 2015 Jul 21. J Biomol NMR. 2015. PMID: 26195077 Free PMC article.
Applications of Parametrized NMR Spin Systems of Small Molecules.
Dashti H, Wedell JR, Westler WM, Tonelli M, Aceti D, Amarasinghe GK, Markley JL, Eghbalnia HR. Dashti H, et al. Among authors: wedell jr. Anal Chem. 2018 Sep 18;90(18):10646-10649. doi: 10.1021/acs.analchem.8b02660. Epub 2018 Aug 24. Anal Chem. 2018. PMID: 30125102 Free PMC article.
NMR-STAR: comprehensive ontology for representing, archiving and exchanging data from nuclear magnetic resonance spectroscopic experiments.
Ulrich EL, Baskaran K, Dashti H, Ioannidis YE, Livny M, Romero PR, Maziuk D, Wedell JR, Yao H, Eghbalnia HR, Hoch JC, Markley JL. Ulrich EL, et al. Among authors: wedell jr. J Biomol NMR. 2019 Feb;73(1-2):5-9. doi: 10.1007/s10858-018-0220-3. Epub 2018 Dec 22. J Biomol NMR. 2019. PMID: 30580387 Free PMC article. Review.
BioMagResBank (BMRB) as a Resource for Structural Biology.
Romero PR, Kobayashi N, Wedell JR, Baskaran K, Iwata T, Yokochi M, Maziuk D, Yao H, Fujiwara T, Kurusu G, Ulrich EL, Hoch JC, Markley JL. Romero PR, et al. Among authors: wedell jr. Methods Mol Biol. 2020;2112:187-218. doi: 10.1007/978-1-0716-0270-6_14. Methods Mol Biol. 2020. PMID: 32006287 Free PMC article.
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