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ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug inducing properties. [1] It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory ( EMBL ), based at the Wellcome Trust Genome Campus , Hinxton, UK.
Benzylisoquinoline Alkaloid Database "BIAdb". 846 BindingDB The Binding Database Skaggs School of Pharmacy and Pharmaceutical Sciences at the University of California, San Diego noncovalent association of molecules in solution ChEMBL SMILES InChiKey targets "BindingDB". BindingMOAD Binding Mother of All Databases protein ligand structures
In addition, each data item is fully traceable and explicitly referenced to the original source. It is related in scope other databases such as ChEMBL, ChemSpider, DrugBank, MetaboLights and PubChem. ChEBI data is available through a public web application, web services, SPARQL endpoint and downloads. [1] [2]
Efficient querying of genomic reference databases including UniProt, National Center for Biotechnology Information, and Ensembl genome database project: Linux, macOS, Windows: BSD: Laura Luebbert and Lior Pachter: GROMACS: Molecular dynamics package mainly designed for simulations of proteins, lipids and nucleic acids. Linux, macOS, Windows ...
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
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ChEMBL Database version 33 record biological activities for 2,431,025 distinct molecules. [ 9 ] [ 10 ] Chemical libraries used for laboratory-based screening for compounds with desired properties are examples for real-world chemical libraries of small size (a few hundred to hundreds of thousands of molecules).