Articles | Volume 5, issue 2 
            
                
                    
            
            
            
        https://doi.org/10.5194/mr-5-103-2024
                    © Author(s) 2024. This work is distributed under the Creative Commons Attribution 4.0 License.
                Analysis of chi angle distributions in free amino acids via multiplet fitting of proton scalar couplings
Related subject area
            Field: Liquid-state NMR | Topic: Computation
            
                    
                        
                            
                            
                            
                        
                    
                    
                        
                    
                    
                        
                            
                            
                                     
                                An improved, time-efficient approach to extract accurate distance restraints for NMR2 structure calculation
                                
                                    
                            
                        
                    
                    
                        
                            
                            
                                     
                                Improving the accuracy of model-based quantitative nuclear magnetic resonance
                                
                                    
                            
                        
                    
                    
            
        
        Magn. Reson., 3, 137–144,  2022
                                    
                                    
                            Magn. Reson., 1, 141–153,  2020
                                    
                                    
                            Cited articles
                        
                        Achanta, P. S., Jaki, B. U., McAlpine, J. B., Friesen, J. B., Niemitz, M., Chen, S.-N., and Pauli, G. F.: Quantum mechanical NMR full spin analysis in pharmaceutical identity testing and quality control, J. Pharmaceut. Biomed., 192, 113601, https://doi.org/10.1016/j.jpba.2020.113601, 2021. a
                    
                
                        
                        Ahlner, A., Carlsson, M., Jonsson, B.-H., and Lundström, P.: PINT: a software for integration of peak volumes and extraction of relaxation rates, J. Biomol. NMR, 56, 191–202, https://doi.org/10.1007/s10858-013-9737-7, 2013. a
                    
                
                        
                        Bernstein, M. A., Sýkora, S., Peng, C., Barba, A., and Cobas, C.: Optimization and Automation of Quantitative NMR Data Extraction, Anal. Chem., 85, 5778–5786, https://doi.org/10.1021/ac400411q, 2013. a
                    
                
                        
                        Bundi, A. and Wüthrich, K.: 1H-nmr parameters of the common amino acid residues measured in aqueous solutions of the linear tetrapeptides H-Gly-Gly-X-L-Ala-OH, Biopolymers, 18, 285–297, https://doi.org/10.1002/bip.1979.360180206, 1979. a, b
                    
                
                        
                        Cao, L., Coventry, B., Goreshnik, I., Huang, B., Sheffler, W., Park, J. S., Jude, K. M., Marković, I., Kadam, R. U., Verschueren, K. H. G., Verstraete, K., Walsh, S. T. R., Bennett, N., Phal, A., Yang, A., Kozodoy, L., DeWitt, M., Picton, L., Miller, L., Strauch, E.-M., DeBouver, N. D., Pires, A., Bera, A. K., Halabiya, S., Hammerson, B., Yang, W., Bernard, S., Stewart, L., Wilson, I. A., Ruohola-Baker, H., Schlessinger, J., Lee, S., Savvides, S. N., Garcia, K. C., and Baker, D.: Design of protein-binding proteins from the target structure alone, Nature, 605, 551–560, https://doi.org/10.1038/s41586-022-04654-9, 2022. a
                    
                 
 
                        
                                         
                        
                                         
                        
                                         
                        
                                         
                        
                                         
             
             
             
            