Additional experimental data not included in the main paper.

Raw data extracted from QM/MM-MD simulations to be used for free energy calculations. Figures of the resulting free energy profiles.Related publication: Patricia Saura, Reynier Suardiaz, Laura Masgrau, Àngels González-Lafont, Edina Rosta, and José M. Lluch (2017), Understanding the Molecular Mechanism of the Ala-Versus-Gly Concept Controlling the Product Specificity in Reactions Catalyzed by Lipoxygenases: a Combined Molecular Dynamics and QM/MM Study of Coral 8R-Lipoxygenase, ACS Catalysis. DOI: 10.1021/acscatal.7b00842

The Project Mapping the Medieval Countryside is a major research project dedicated to creating a digital edition of the medieval English inquisitions post mortem (IPMs) from c. 1236 to 1509. IPMs recorded the lands held at their deaths by tenants of the crown. They comprise the most extensive and important body of source material for landholding in medieval England. Describing the lands held by thousands of families, from nobles to peasants, they are a key...

This research (DOI:10.1371/journal.pone.0184642) investigates if motion artefacts inherent in fabric-based sensing systems (e-textiles), can be exploited as an additional source of information in statistical classification tasks. The findings in the corresponding paper suggest that these artefacts can, in fact, be used to distinguish between similar motions, by exploiting additional information provided by the fabric motion. An experimental study is presented whereby factors of both the motion and the properties of the fabric are analysed in...

Image data acquired from clinical system of in vitro phantom

A collection of still images and alphanumeric lists. The data contained here was collected in support of the investigation into the synthesis of CuS nanocrystals in water. Included is the characterisation of both the starting metal complex and the resulting CuS nanocrystals, using mass spectrometry, absorption spectroscopy, transmission electron microscopy, selected area electron diffraction, X-ray diffraction, energy-dispersive X-ray spectroscopy and dynamic light scattering.Please cite as: Bergstrom Mann, Patrick; Fairclough, Simon; McGregor, Iain; Ma, Michelle; Hogarth,...

Studies of the methylation state of DNA preserved in oak heartwood can help identify epigenetic tree ring features informing on past environmental conditions. Heartwood contains little DNA; large amounts of phenolic compounds are known to hinder the preparation of high-throughput sequencing libraries. To complement experiments, we simulated the interaction of double-stranded DNA (dsDNA) with a potential PCR inhibitor, the phenolic compound ellagic acid, by molecular dynamics and metadynamics techniques. Specifically, we investigated with molecular dynamics:...

This study reports an investigation into the use of embroidered electrodes for recording surface EMG data from amputees, and the feasibility of using that data as a discrete control interface for a prosthesis through classification of muscle patterns. During data recording, participants are asked to visualise performing one of four gestures with their ghost limb (corresponding to the desired movement of a prosthetic hand) while surface EMG data is collected using the textile-based system. The...

74 anonymised interview transcripts (Word format), 1 anonymised table of participant characteristics (Excel). Size of dataset: 2.4 MB. Related publication: Mansfield, L. et al. (2018) "Could you sit down please?" A qualitative analysis of employees' experiences of standing in normally-seated workplace meetings. PLoS ONE 13(6): e0198483. https://doi.org/10.1371/journal.pone.0198483 For access to this dataset, please email research.data@kcl.ac.uk.

Excel data for paper 'Identification of the Design Parameters for a Spacer Fabric Pressure-Mapping Sensor’. The data are experiment 1 result and experiment 2 result.

Retrospective analysis of 3 patient cases who underwent coronary computed tomography angiography at Guy’s and St Thomas’ NHS Foundation Trust was performed to generate computational models suitable for electromechanical finite element simulations. Therefore, images were segmented using a statistics-based approach and the smoothed voxel representations were discretized into high-resolution tetrahedral finite element meshes. The complex atrial myofiber architectures were estimated on the endo- and epicardial surfaces according to anatomical and morphological data utilizing a Laplace-based...

Raw scientific data that was collected using a Langmuir trough, a confocal microscope and a UV spectrophotometer.

Pentameric ligand-gated ion channels (pLGICs) mediate fast synaptic transmission and are crucial drug targets. Their gating mechanism is triggered by ligand binding in the extracellular domain that culminates in the opening of a hydrophobic gate in the transmembrane domain. This domain is made of four α-helices (M1 to M4). Recently the outer lipid-facing helix (M4) has been shown to be key to receptor function, however its role in channel opening is still poorly understood. It...

Ground and excited state potential energy surfaces and absorption and emission spectra of BODIPY-C10, BODIPY-Cyclopropyl-A and BODIPY-Cyclopropyl-B, calculated using the Gaussian 09 Code.Type of data: Quantum mechanical simulation files

Data for figures in paper Phys. Rev. B 104, 024408 (2021): text files and Python files