Published October 8, 2021 | Version v1
Dataset Open

Supplementary Material for "TITANIA Model-Free Interpretation of Residual Dipolar Couplings in the Context of Organic Compounds"

Authors/Creators

  • 1. Technische Universität Darmstadt

Description

Simulation input (RDC data, input geometries, keywords) and output files (simulation / geometry trajectories, alignment data, SECONDA analysis) for isopinocampheol, tubocurarine and strychnine runs with the TITANIA software.

Files

SupplementaryMaterial_20211008.zip

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Additional details

Related works

References
https://zenodo.org/record/5548105 (URL)