NMR_Simulate/README.md

NMR_Simulate

http://www.nmrdb.org/simulator/index.shtml?v=v2.121.2 Fast and accurate algorithm for the simulation of NMR spectra of large spin systems

https://link.springer.com/article/10.1007/s11306-017-1244-5 ASICS: an automatic method for identification and quantification of metabolites in complex 1D 1H NMR spectra

http://bayesil.ca/submissions/new Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219.

https://pubs.acs.org/doi/10.1021/np5002384 Essential Parameters for Structural Analysis and Dereplication by 1H NMR Spectroscopy

Complete 1H and 13C NMR chemical shift assignments of mono-to tetrasaccharides as basis for NMR chemical shift predictions of oligo- and polysaccharides using the computer program CASPER

ANATOLIA: NMR software for spectral analysis of total lineshape https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/mrc.4689

Chapter Two - Total line shape analysis of high-resolution NMR spectra

Prediction of chemical shift in NMR: A review