11 Works

Simulation data I (molecular dynamics) for 'Trans–Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel - How They Are Affected by and How They Affect the Biomolecular Environment'

Carla Molteni, Alessandro Crnjar, Federico Comitani & William Hester
Pentameric ligand-gated ion channels (pLGICs) are important neuroreceptors, embedded in neuronal membranes, that mediate fast synaptic transmission. The molecular details of their working mechanisms have still to be fully unravelled due to their complexity and limited structural information available. Here we focus on a potential molecular switch in a prototypical pLGIC, the serotonin-activated 5-HT3 receptor, consisting of the trans–cis isomerization of a proline at the interface between the extracellular and transmembrane domain. We investigate this...

People of Medieval Scotland project 1093 - 1371

Dauvit Broun, Alice Taylor, Matthew Hammond, Roibeard Ó Maolalaigh, Keith J. Stringer, John Bradley, David Carpenter, Amanda Beam, John Davies, Michele Pasin, Cornell Jackson, Neil Jakeman, Joanna Tucker, Beth Hartland, andrew smith, Susan Bell, Nicholas Evans, Kathryn Dutton, Charlotte Tupman, Beatriz Caballero, Miguel Vieira & Christelle Le Riguer
People of Medieval Scotland (PoMS) project is a database of all known people of Scotland between 1093 and 1314 mentioned in over 8600 contemporary legal documents. It has also recently been extended to 1371 to include all those lands, peoples and relationships mentioned in royal charters between 1314 and 1371. The People of Medieval Scotland website is an outcome of three projects: The Paradox of Medieval Scotland (2007-2010); The Breaking of Britain (2010-2013); and The...

Dataset used in paper ‘Evaluation of [13N]ammonia positron emission tomography as a potential method for quantifying glutamine synthetase activity in the human brain.’ (Egerton A and Dunn JT et al 2020)

Joel Dunn, Alice Egerton, Anthony Gee & Alexander Hammers
Dynamic PET & structural MRI images with accompanying blood sample data for repeatability study investigating human cerebral ammonia metabolism with 15O-H2O and 13N-NH3 PET tracers. Data from eight healthy subjects. Each subject had a 15O-H2O PET-CT brain scan followed by a 13N-NH3 scan; both scans repeated same day. Continuous and manual arterial blood sampling was acquired on all scans, with metabolite analysis on the NH3 scan blood manual samples. This data was used in the...

A Virtual Cohort of Twenty-four Left-ventricular Models of Ischemic Cardiomyopathy Patients

Caroline Mendonca Costa, Aurel Neic, Eric Kerfoot, Karli Gillette, Bradley Porter, Benjamin Sieniewicz, Justin Gould, Baldeep Sidhu, Zhong Chen, Mark Elliott, Vishal Mehta, Gernot Plank, Aldo Rinaldi, Martin Bishop & Steven Niederer
Motivation: Computational models of the heart are increasingly being used in the development of devices, patient diagnosis and therapy guidance. While software techniques have been developed for simulating single hearts, there remain significant challenges in simulating cohorts of virtual hearts from multiple patients. Dataset Description: We present the first database of left-ventricular (LV) models suitable for electrophysiology simulations. Our database consists of twenty-four LV models including infarct scar morphology. These were generated from LGE-MRI acquired...

Simulation data II (metadynamics) for 'Trans–Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel - How They Are Affected by and How They Affect the Biomolecular Environment'

Carla Molteni, Alessandro Crnjar, Federico Comitani & William Hester
Pentameric ligand-gated ion channels (pLGICs) are important neuroreceptors, embedded in neuronal membranes, that mediate fast synaptic transmission. The molecular details of their working mechanisms have still to be fully unravelled due to their complexity and limited structural information available. Here we focus on a potential molecular switch in a prototypical pLGIC, the serotonin-activated 5-HT3 receptor, consisting of the trans–cis isomerization of a proline at the interface between the extracellular and transmembrane domain. We investigate this...

Simulation data for “Cholesterol Content in the Membrane Promotes Key Lipid-Protein Interactions in a Pentameric Serotonin-Gated Ion Channel”

Alessandro Crnjar & Carla Molteni
We investigate, by means of molecular dynamics simulations, the behaviour of the lipid membrane at the interface with the pentameric ligand-gated ion channel 5-HT3 receptor. Three lipid compositions are studied, spanning different concentrations of the phospholipids POPC and POPE and of cholesterol, hence a range of viscosities. A variety of lipid interactions and persistent binding events to different parts of the receptor are revealed in the investigated models. Some of these events result in lipid...

Schenker Documents Online project

William Drabkin, Andrea Reiter, Ian Bent, Marilyn Deegan, Harold Short, Paul Spence, Martin Eybl, John Bradley, Gerhard Brey, John Lee, Eleonora Litta Modignani Picozzi, Tamara Lopez, Richard Palmer, Paul Vetch, José Miguel Vieira, Raffaele Viglianti, Bea Caballero, Paul Caton, Osman Hankir, Faith Lawrence, Jamie Norrish, Tim Watts, Iby Jolande-Varga, David Bretherton, Marko Deisinger … & Arnold Whittall
The Project Viennese musician and teacher Heinrich Schenker (1868-1935), the twentieth century's leading theorist of tonal music, produced a series of innovative studies and editions between 1903 and 1935, while exerting a powerful and sustained influence, directly and through his pupils, on the teaching of music from the 1930s onward in the USA, and since the 1970s in Europe and elsewhere. Schenker left behind approximately 130,000 manuscript and typescript leaves comprising unpublished works, preparatory materials,...

Data for paper 'Hand-made embroidered electromyography towards a solution for low-income countries', version 2

Samuel Pitou
This study presents the first work into the hand-sewing of electrodes for surface electromyography to assess its feasibility as an affordable, alternative means of production. In experiments reported here, batches of hand-sewn electrodes from Nm = 6 novice embroiderers are tested for (i) manufacturing consistency, and (ii) myographic data acquisition against conventional gelled and machine-sewn electrodes.

Constructing a Human Atrial Fibre Atlas

Caroline Roney, Rokas Bendikas, Farhad Pashakhanloo, Cesare Corrado, Edmond Vigmond, Elliot McVeigh, Natalia Trayanova & Steven Niederer
Background: Atrial anisotropy affects electrical propagation patterns, anchor locations of atrial reentrant drivers, and atrial mechanics. However, patient-specific atrial fibre fields and anisotropy measurements are not currently available, and consequently assigning fibre fields to atrial models is challenging. We aimed to construct an atrial fibre atlas from a high-resolution DTMRI dataset that optimally reproduces electrophysiology simulation predictions corresponding to patient-specific fibre fields, and to develop a methodology for automatically assigning fibres to patient-specific anatomies.Dataset Description:...

The Inquisitions Post Mortem project

Michael Hicks, Paul Spence, Matthew Holford, Matthew Tompkins, Gordon McKelvie, Miguel Vieira, Neil Jakeman, Charlotte Tupman, David Little, Faith Lawrence & Tim Watts
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...

Simulation data for 'Extraction and high-throughput sequencing of oak heartwood DNA - assessing the feasibility of genome-wide DNA methylation profiling'

Alessandro Crnjar, Carla Molteni & Federico Comitani
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:...

Registration Year

  • 2020
    11

Resource Types

  • Dataset
    11

Affiliations

  • King's College London
    1
  • University of Winchester
    1