Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics
Author:
Affiliation:
1. Department of Chemistry, Columbia University, New York, New York 10025, United States
Funder
Division of Molecular and Cellular Biosciences
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c02589
Reference62 articles.
1. Secondary and Tertiary Structural Effects on Protein NMR Chemical Shifts: an ab Initio Approach
2. CHEMICAL SHIFTS IN AMINO ACIDS, PEPTIDES, AND PROTEINS: From Quantum Chemistry to Drug Design
3. Using quantum chemistry to estimate chemical shifts in biomolecules
4. Relationship between nuclear magnetic resonance chemical shift and protein secondary structure
5. Probability-based protein secondary structure identification using combined NMR chemical-shift data
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