This data contains classical MD trajectories and QM/MM reaction path geometries.

Raw image sequences for both simulated and experimental data for example shown in Nature Methods HAWK paper. Consists of multi frame image sequences of single molecule fluorescence captured on Richard Marsh's PALM/STORM system with Evolve EMCCD.

Understanding litter and littering is not as straightforward as one may assume, as littering is a complex social-environmental issue. Littering nuances relate to a wide range of factors (e.g., litter movements, litter types, mitigations), but despite complexities, research and policy has historically approached the issue through behavioural intervention; reduce litter by addressing littering. Limited research efforts focus on holistically understanding physical properties of litter, material composition and regional variation. This thesis investigates these intricacies, exploring...

The collection contains the constituent elements of the publication Inscriptions of Roman Tripolitania (2021), by J. M. Reynolds, C. M. Roueché, G. Bodard, C. Barron and others
available at: http://irt2021.inslib.kcl.ac.uk
ISBN 978-1-912466-25-2

Gingivitis is inflammation of the gums and is caused by excessive dental plaque accumulation. The severity of the disease is correlated with both the amount of plaque present and its maturity. As plaque matures its bacterial composition changes from mainly aerobes and facultative anaerobes to one dominated by anaerobic Gram-negative bacteria. Supplementation of the diet with nitrate has been shown to modify salivary bacterial composition with an increase in the proportion of the aerobic and...

This data contains the geometries, energies, frequency, solvent, and PES scan calculations.

Data deposited here has a mixed format and includes images, software and data files listing protein positions. This data was collected using the Nikon N-STORM imaging system, analysed using QuickPALM, 3B and developed software. The formats of data deposited: '.tif' for images, '.txt' for data files (with protein positions) and '.cpp' for software (written in C++).

This report and dataset analyses the research outputs, and monographs in particular, from the Research Excellence Framework 2014 (REF2014) as part of the AHRC-funded research project titled: The Academic Book of the Future (https://academicbookfuture.org/). The REF2014 submission information delivered to HEFCE provides a rich data set that can provide a means of finding out more about the academic books submitted in the last REF cycle (2008-2013). The analysis of the data provides useful indicator data...

Gingivitis is inflammation of the gums and is caused by excessive dental plaque accumulation. The severity of the disease is correlated with both the amount of plaque present and its maturity. As plaque matures its bacterial composition changes from mainly aerobes and facultative anaerobes to one dominated by anaerobic Gram-negative bacteria. Supplementation of the diet with nitrate has been shown to modify salivary bacterial composition with an increase in the proportion of the aerobic and...

This collection contains data a code underpinning a manuscript we plan to publish entitled "Visualising Varnish Removal for Conservation of Paintings by Fluorescence Lifetime Imaging (FLIM)".
The collection contains data from fluroescence lifetime measurements on paintings measured on a SPAD array camera. The datasets are structured according to figures in the paper. There is also a software package and calibration data to process the measurement data. The calibration data can only be used with...

In this work, molecular dynamics simulations were carried out to study the dynamical properties of a monomer and a dimer of green fluorescent protein (GFP) in order to provide an in-silico validation of FRET (Förster resonance energy transfer) efficiency, calculated from the fit of the fluorescence anisotropy decays with a stretched exponential decay model. An excellent agreement was found between model and experiments. Dynamical insights on the dimer linker and on the protein tumbling were...

Understanding litter and littering is not as straightforward as one may assume, as littering is a complex social-environmental issue. Littering nuances relate to a wide range of factors (e.g., litter movements, litter types, mitigations), but despite complexities, research and policy has historically approached the issue through behavioural intervention; reduce litter by addressing littering. Limited research efforts focus on holistically understanding physical properties of litter, material composition and regional variation. This thesis investigates these intricacies, exploring...

The collection contains the constituent elements of the publication Inscriptions of Roman Tripolitania (2021), by J. M. Reynolds, C. M. Roueché, G. Bodard, C. Barron and others
available at: http://irt2021.inslib.kcl.ac.uk
ISBN 978-1-912466-25-2

Supplementary materials to: Desert dunes transformed by end-of-century changes in wind climate by Andreas C.W. Baas & Lucie A Delobel Department of Geography King's College London

The data collected here are related to the optoelectronic properties of 3 semiconductors. The data was obtained through computational methods as part of a project to characterise solar cell materials. The data provided are the information needed to reduplicate data published as part of this project.

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

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,...

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...

Supplementary materials to: Desert dunes transformed by end-of-century changes in wind climate by Andreas C.W. Baas & Lucie A Delobel Department of Geography King's College London

Understanding litter and littering is not as straightforward as one may assume, as littering is a complex social-environmental issue. Littering nuances relate to a wide range of factors (e.g., litter movements, litter types, mitigations), but despite complexities, research and policy has historically approached the issue through behavioural intervention; reduce litter by addressing littering. Limited research efforts focus on holistically understanding physical properties of litter, material composition and regional variation. This thesis investigates these intricacies, exploring...