Dataset

Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two types of simulation scripts: all-atom simulation (GROMACS) and coarse-grained simulations (ESPRESSO). In both cases, the system is a polymer PEG bulk system. See the README file for details and instructions.

Chemical Info

Data and Resources

Scripts for "Assessing the validity of NMR...HTML

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source
Version
Author	Gravelle, Simon, Beyer, David, Brito, Mariano E., Schlaich, Alexander, Holm, Christian
Maintainer	DaRUS
Language
MetadataPublished
Related Molecule

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source





The data in this table is sourced from UniChem at EBI.