Motional clustering in supra-τc conformational exchange influences NOE cross-relaxation rate
Published: 1 March 2022| Version 3 | DOI: 10.17632/d9r96x4c9x.3
Contributors:
, , , , , Description
This data repository contains correlation functions, ITS and tICA plots as well as NOESY build-up curves for all local systems in all force fields that are in supra-τc exchange (up to 10 A distance). In addition, all other methyl--methyl contacts of up to 5 A are also provided. It can be visualized with the dashboard provided in the following GitHub repository: https://github.com/chrisdkolloff/calcnoesy-supplement-dashboard.
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Institutions
Agency for Science Technology and Research, Universitat Basel, Chalmers tekniska hogskola
Categories
Physical Chemistry, Nuclear Magnetic Resonance, Biophysical Chemistry, Nuclear Overhauser Effect Spectroscopy, Molecular Dynamics, Chemical Exchange