BaMORC: A Software Package for Accurate and Robust 13C Reference Correction of Protein NMR Spectra-Reference-Cited by-同舟云学术

BaMORC: A Software Package for Accurate and Robust 13C Reference Correction of Protein NMR Spectra

Published:2019-05 Issue:5 Volume:14 Page:1934578X1984914
ISSN:1934-578X
Container-title:Natural Product Communications
language:en
Short-container-title:Natural Product Communications

Author:

Chen Xi¹²,Smelter Andrey¹³,Moseley Hunter N. B.¹³⁴⁵

Affiliation:

1. Department of Molecular and Cellular Biochemistry, University of Kentucky, Lexington, KY, USA

2. Department of Statistics, University of Kentucky, Lexington, KY, USA

3. Center for Environmental and Systems Biochemistry, Lexington, KY, USA

4. Markey Cancer Center, University of Kentucky, Lexington, KY, USA

5. Institute for Biomedical Informatics, University of Kentucky, Lexington, KY, USA

Abstract

We describe Bayesian Model Optimized Reference Correction (BaMORC), a software package that performs 13C chemical shifts reference correction for either assigned or unassigned peak lists derived from protein NMR spectra. BaMORC provides an intuitive command line interface that allows non-nuclear magnetic resonance (NMR) experts to detect and correct 13C chemical shift referencing errors of unassigned peak lists at the very beginning of NMR data analysis, further lowering the bar of expertise required for effective protein NMR analysis. Furthermore, BaMORC provides an application programming interface for integration into sophisticated protein NMR data analysis pipelines, both before and after the protein resonance assignment step.

Publisher

SAGE Publications

Subject

Complementary and alternative medicine,Plant Science,Drug Discovery,Pharmacology,General Medicine

Link

http://journals.sagepub.com/doi/pdf/10.1177/1934578X19849142

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