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Found 6 result(s)

Worldwide Protein Data Bank

wwPDB

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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.

The Data Hub

datahub

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the Data Hub is a community-run catalogue of useful sets of data on the Internet. You can collect links here to data from around the web for yourself and others to use, or search for data that others have collected. Depending on the type of data (and its conditions of use), the Data Hub may also be able to store a copy of the data or host it in a database, and provide some basic visualisation tools.

myExperiment

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myExperiment is a collaborative environment where scientists can safely publish their workflows and in silico experiments, share them with groups and find those of others. Workflows, other digital objects and bundles (called Packs) can now be swapped, sorted and searched like photos and videos on the Web. Unlike Facebook or MySpace, myExperiment fully understands the needs of the researcher and makes it really easy for the next generation of scientists to contribute to a pool of scientific methods, build communities and form relationships — reducing time-to-experiment, sharing expertise and avoiding reinvention. myExperiment is now the largest public repository of scientific workflows.

ComBase

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ComBase is a resource for quantitative and predictive food microbiology. ComBase includes a database of observed microbial responses to a variety of food-related environments and a collection of predictive models.

ChEMBL

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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.

Crystallography Open Database

COD

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Including data and software from CrystalEye is this a open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. At present, this is the most comprehensive open resource for small molecule structures, freely available to all scientists in Lithuania and worldwide. Including data and software from CrystalEye, developed by Nick Day at the department of Chemistry, the University of Cambridge under supervision of Peter Murray-Rust.