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Found 36 result(s)
The Complex Portal is a manually curated, encyclopaedic resource of macromolecular complexes from a number of key model organisms, entered into the IntAct molecular interaction database (https://www.ebi.ac.uk/intact/). Data includes protein-only complexes as well as protein-small molecule and protein-nucleic acid complexes. All complexes are derived from physical molecular interaction evidences extracted from the literature and cross-referenced in the entry, or by curator inference from information on homologs in closely related species or by inference from scientific background. All complexes are tagged with Evidence and Conclusion Ontology codes to indicate the type of evidence available for each entry.
The Chemical Probes Portal is an online open access catalog of annotated small molecule inhibitors, agonists and other chemical tools for biological research and preclinical drug discovery. Annotations for are extensive and distinguish between activity in cells and model organisms.
Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of 'small molecular entities'. The term 'molecular entity' encompasses any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. The molecular entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms (either deliberately, as for drugs, or unintentionally', as for chemicals in the environment). The qualifier 'small' implies the exclusion of entities directly encoded by the genome, and thus as a rule nucleic acids, proteins and peptides derived from proteins by cleavage are not included.
mzCloud is an extensively curated database of high-resolution tandem mass spectra that are arranged into spectral trees. MS/MS and multi-stage MSn spectra were acquired at various collision energies, precursor m/z, and isolation widths using Collision-induced dissociation (CID) and Higher-energy collisional dissociation (HCD). Each raw mass spectrum was filtered and recalibrated giving rise to additional filtered and recalibrated spectral trees that are fully searchable. Besides the experimental and processed data, each database record contains the compound name with synonyms, the chemical structure, computationally and manually annotated fragments (peaks), identified adducts and multiply charged ions, molecular formulas, predicted precursor structures, detailed experimental information, peak accuracies, mass resolution, InChi, InChiKey, and other identifiers. mzCloud is a fully searchable library that allows spectra searches, tree searches, structure and substructure searches, monoisotopic mass searches, peak (m/z) searches, precursor searches, and name searches. mzCloud is free and available for public use online.
The PSDS is an EPSRC-funded National Research Facility provided by the University of Southampton, and Science and Technology Facilities Council. Its purpose is to provide a common access point to data resources within the Physical Sciences to all staff, students and other members of UK academic institutions. By providing a common point of access, free at the point of use, the service aims to provide benefit to the research community by maximising the use of resources via common acedemic licencing, and adding value as a common hub for aggregating and integrating data resources for the Physical Sciences.
The ChemBio Hub vision is to provide the tools that will make it easier for Oxford University scientists to connect with colleagues to improve their research, to satisfy funders that the data they have paid for is being managed according to their policies, and to make new alliances with pharma and biotech partners. Funding and development of the ChemBio Hub was ending on the 30th June 2016. Please be reassured that the ChemBio Hub system and all your data will continue to be secured on the SGC servers for the foreseeable future. You can continue to use the services as normal.
The figshare service for The Open University was launched in 2016 and allows researchers to store, share and publish research data. It helps the research data to be accessible by storing metadata alongside datasets. Additionally, every uploaded item receives a Digital Object Identifier (DOI), which allows the data to be citable and sustainable. If there are any ethical or copyright concerns about publishing a certain dataset, it is possible to publish the metadata associated with the dataset to help discoverability while sharing the data itself via a private channel through manual approval.
CARIBIC is an innovative scientific project to study and monitor important chemical and physical processes in the Earth´s atmosphere. Detailed and extensive measurements are made during long distance flights. We deploy an airfreight container with automated scientific apparatus which are connected to an air and particle (aerosol) inlet underneath the aircraft. We use an Airbus A340-600 from Lufthansa since December 2004.
The British Geological Survey (BGS), the world’s oldest national geological survey, has over 400 datasets including environmental monitoring data, digital databases, physical collections (borehole core, rocks, minerals and fossils), records and archives.
The Protein Circular Dichroism Data Bank (PCDDB) provides and accepts a circular dichroism spectra data. The PCDDB and it's parent organization, the Institute of Structural and Molecular Biology (ISMB), investigate molecular structure using techniques such as biomolecular nuclear magnetic resonance, X-ray crystallography and computational structure prediction, as methods for protein production and biological characterization.
The Protein Data Bank (PDB) is an archive of experimentally determined three-dimensional structures of biological macromolecules that serves a global community of researchers, educators, and students. The data contained in the archive include atomic coordinates, crystallographic structure factors and NMR experimental data. Aside from coordinates, each deposition also includes the names of molecules, primary and secondary structure information, sequence database references, where appropriate, and ligand and biological assembly information, details about data collection and structure solution, and bibliographic citations. The Worldwide Protein Data Bank (wwPDB) consists of organizations that act as deposition, data processing and distribution centers for PDB data. Members are: RCSB PDB (USA), PDBe (Europe) and PDBj (Japan), and BMRB (USA). The wwPDB's mission is to maintain a single PDB archive of macromolecular structural data that is freely and publicly available to the global community.
M-CSA is a database of enzyme reaction mechanisms. It provides annotation on the protein, catalytic residues, cofactors, and the reaction mechanisms of hundreds of enzymes. There are two kinds of entries in M-CSA. 'Detailed mechanism' entries are more complete and show the individual chemical steps of the mechanism as schemes with electron flow arrows. 'Catalytic Site' entries annotate the catalytic residues necessary for the reaction, but do not show the mechanism. The M-CSA (Mechanism and Catalytic Site Atlas) represents a unified resource that combines the data in both MACiE and the CSA
The Met Office is the UK's National Weather Service. We have a long history of weather forecasting and have been working in the area of climate change for more than two decades. As a world leader in providing weather and climate services, we employ more than 1,800 at 60 locations throughout the world. We are recognised as one of the world's most accurate forecasters, using more than 10 million weather observations a day, an advanced atmospheric model and a high performance supercomputer to create 3,000 tailored forecasts and briefings a day. These are delivered to a huge range of customers from the Government, to businesses, the general public, armed forces, and other organisations.
Apollo (previously DSpace@Cambridge) is the University of Cambridge’s Institutional Repository (IR), preserving and providing access to content created by members of the University. The repository stores a range of content and provides different levels of access, but its primary focus is on providing open access to the University’s research publications.
GWAS Central (previously the Human Genome Variation database of Genotype-to-Phenotype information) is a database of summary level findings from genetic association studies, both large and small. We actively gather datasets from public domain projects, and encourage direct data submission from the community.
PDBe is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. In collaboration with the other worldwide Protein Data Bank (wwPDB) partners - the Research Collaboratory for Structural Bioinformatics (RCSB) and BioMagResBank (BMRB) in the USA and the Protein Data Bank of Japan (PDBj) - we work to collate, maintain and provide access to the global repository of macromolecular structure data. We develop tools, services and resources to make structure-related data more accessible to the biomedical community.
The UCD Digital Library is a platform for exploring cultural heritage, engaging with digital scholarship, and accessing research data. The UCD Digital Library allows you to search, browse and explore a growing collection of historical materials, photographs, art, interviews, letters, and other exciting content, that have been digitised and made freely available.
ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.
Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science. The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0