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MATLAB package of iterative regularization methods and large-scale test problems. This software is described in the paper "IR Tools: A MATLAB Package of Iterative Regularization Methods and Large-Scale Test Problems" that will be published in Numerical Algorithms, 2018.
This script generates a ring current model (RCM) for the given molecule and calculates the induced magnetic field at a specific atoms. This can be than related to the experimental NMR data to deduce ring current susceptibility in units of nA/T.
This repository contains the scripts to analyze data as described in "Probing multiple enzymatic methylatin events in real time with NMR spectroscopy" by ET Usher, et al. Biophys J (2021). 10.1016/j.bpj.2021.09.034