Hello and thank you for your interest in our research data for our publication 'Switching On Supramolecular DNA Junction Binding Using a Human Enzyme'

In this repository you will find:

Original, unedited NMR data.
Original, unedited mass spec data, compatible with MassLynx software.
Original CHN data, pdf file as received from the UoB Elemental Analysis Facility.
Original, unedited gel images shown in this work in TIF format.
Original, unedited UV-Vis data in csv format.
Original, unedited CD & LD data in csv format.
Original, unedited UV-Vis DNA & RNA Melting data in csv format.
Original, unedited MTT assay data in csv format.
Original, unedited ICP-MS data in csv format and calibration data in pdf format.

Simulation data including:
 - All coordinate files for the compounds simulated
 - All raw simulations in .xtc format with corresponding .pdb starting frames, .tpr run files and .ndx index files
Raw simulation files have been outputted with 1 ns per frame to maintain reasonable file sizes.
 - Processed simulation files (centered and fitted) are also provided, with corresponding start frames.
 - RMSD and distance data in .xvg format.

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Switching On Supramolecular DNA Junction Binding Using a Human Enzyme
Subhendu Karmakar, Samuel J. Dettmer, Catherine A. J. Hooper, Nikolas J. Hodges and Michael J. Hannon   
February 2025

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This work was funded by the EPSRC Horizon Europe Guarantee (EP/X02282X/1), The Royal Society (NIF\R1\202430), BBSRC MIBTP (BB/M01116X/1)