Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides-Reference-Cited by-同舟云学术

Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides

Published:2013-12-17 Issue:1 Volume:10 Page:122-133
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sumowski Chris Vanessa¹,Hanni Matti¹,Schweizer Sabine¹,Ochsenfeld Christian¹

Affiliation:

1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, D-81377 Munich, Germany and Center for Integrated Protein Science (CIPSM) at the Department of Chemistry, University of Munich (LMU), Butenandtstr. 5-13, D-81377 Munich, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400713t

Reference114 articles.

1. Determination of Membrane Protein Structure by Rotational Resonance NMR: Bacteriorhodopsin

2. Solid-state NMR structural studies of peptides and proteins in membranes

3. Dipolar recoupling in MAS spectra of biological solids

4. Structure of peptides and polypeptides in the solid state as elucidated by NMR chemical shift

5. Structure Determination of Biological Macromolecules in Solution Using Nuclear Magnetic Resonance Spectroscopy

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