Bartels C, Guntert P, Billeter M, Wuthrich K (1997) GARANT-a general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra. J Comput Chem 18:139–149
Bishop AC, Torres-Montalvo G, Kotaru S, Mimun K, Wand AJ (2023) Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing. Nat Commun 14:1556
Cheng Y, Gao X, Liang F (2014) Bayesian peak picking for NMR spectra. Genom Proteom Bioinform 12:39–47
Dutta SK et al (2015) APSY-NMR for protein backbone assignment in high-throughput structural biology. J Biomol NMR 61:47–53
Dwarasala A, Rahimi M, Markley JL, Lee W (2022) ssPINE: probabilistic algorithm for automated chemical shift assignment of solid-state NMR data from complex protein systems. Membranes 12:834
Garrett, D. S., Gronenborn, A. M. & Marius Clore, G. (2011) A short recollection on the paper entitled “A common sense approach to peak picking in two-, three-, and four-dimensional spectra using automatic computer analysis of contour diagrams” by D.S. Garrett, R. Powers, A.M. Gronenborn, and G.M. Clore [J. Magn. Reson. 95 (1991) 214–220]. J Magn Reson 213:364–365
Jolliffe IT, Cadima J (2016) Principal component analysis: a review and recent developments. Phil Trans R Soc A 374:20150202
Article ADS MathSciNet MATH Google Scholar
Koradi R, Billeter M, Engeli M, Güntert P, Wüthrich K (1998) Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY. J Magn Reson 135:288–297
Lee W, Tonelli M, Markley JL (2015) NMRFAM-SPARKY: enhanced software for biomolecular NMR spectroscopy. Bioinformatics 31:1325–1327
Lee W et al (2019) I-PINE web server: an integrative probabilistic NMR assignment system for proteins. J Biomol NMR 73:213–222
Lee W, Rahimi M, Lee Y, Chiu A (2021) POKY: a software suite for multidimensional NMR and 3D structure calculation of biomolecules. Bioinformatics 37:3041–3042
Lee Y et al (2021) pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7. bioRxiv. https://doi.org/10.1101/2021.09.10.459800
López-Giraldo AE et al (2020) The three-dimensional structure of the toxic peptide Cl13 from the scorpion centruroides limpidus. Toxicon 184:158–166
Manthey I et al (2022) POKY software tools encapsulating assignment strategies for solution and solid-state protein NMR data. J Struct Biol: X 6:100073
Nawrocka EK, Dahan D, Kazimierczuk K, Olbratowski P (2022) Radon peak-picker based on a neural network. J Magn Reson Open 12–13:100083
Rahimi M, Lee Y, Markley JL, Lee W (2021) iPick: Multiprocessing software for integrated NMR signal detection and validation. J Magn Reson 328:106995
Shin J, Lee W, Lee W (2008) Structural proteomics by NMR spectroscopy. Expert Rev Proteomics 5:589–601
Wang Z, Bovik AC, Sheikh HR, Simoncelli EP (2004) Image quality assessment: from error visibility to structural similarity. IEEE Trans on Image Process 13:600–612
Xu J, Van Doren SR (2018) Affinities and comparisons of enzyme states by principal component analysis of NMR spectra, automated using TREND software. Methods Enzymol 607:217–240
Zimmerman DE et al (1997) Automated analysis of protein NMR assignments using methods from artificial intelligence. J Mol Biol 269:592–610
Comments (0)