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Found 5 result(s)

AlphaFold

AlphaFold Protein Structure Database

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AlphaFold DB provides open access to protein structure predictions for the human proteome and 20 other key organisms to accelerate scientific research.

Mechanism and Catalytic Site Atlas

CSA (formerly)

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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

European Research Community on Flow, Turbulence and Combustion Database - Classic Collection

ERCOFTAC Classic Collection

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This classic collection of test cases for validation of turbulence models started as an EU / ERCOFTAC project led by Pr. W. Rodi in 1995. It is maintained by Dr. T. Craft at Manchester since 1999. Initialy limited to experimental data, computational results, and results and conclusions drawn from the ERCOFTAC Workshops on Refined Turbulence Modelling (SIG15). At the moment, each case should contain at least a brief description, some data to download, and references to published work. Some cases contain significantly more information than this.

WATCH

WATer and Global CHange

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<<<!!!<<< The repository is no longer available. You can find the data using https://www.re3data.org/repository/r3d100010199 and searching for WATCH. Further information see: https://catalogue.ceh.ac.uk/documents/ba6e8ddd-22a9-457d-acf4-d63cd34f2dda >>>!!!>>>

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.