Fitting Force Field Parameters to NMR Relaxation Data-Reference-Cited by-同舟云学术

Fitting Force Field Parameters to NMR Relaxation Data

Published:2023-06-05 Issue:12 Volume:19 Page:3741-3751
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kümmerer Felix¹,Orioli Simone¹²,Lindorff-Larsen Kresten¹^ORCID

Affiliation:

1. Structural Biology and NMR Laboratory, Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Ole Maaløes Vej 5, DK-2200 Copenhagen N, Denmark

2. Structural Biophysics, Niels Bohr Institute, Faculty of Science, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark

Funder

Lundbeckfonden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00174

Reference87 articles.

1. NMR order parameters and free energy: an analytical approach and its application to cooperative calcium(2+) binding by calbindin D9k

2. Contributions to Conformational Entropy Arising from Bond Vector Fluctuations Measured from NMR-Derived Order Parameters: Application to Protein Folding

3. Insights into the local residual entropy of proteins provided by NMR relaxation

4. Correlation between changes in nuclear magnetic resonance order parameters and conformational entropy: Molecular dynamics simulations of native and denatured staphylococcal nuclease

5. NMR Relaxation Studies of the Role of Conformational Entropy in Protein Stability and Ligand Binding

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