- An Information Portal to 133397 Biological Macromolecular Structures.
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- The European Molecular Biology Laboratory (EMBL) is one of the world’s leading research institutions, and Europe’s flagship laboratory for the life sciences.
- The National Center for Biotechnology Information advances science and health by providing access to biomedical and genomic information.
- BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules. BindingDB contains 1,391,403 binding data, for 7,225 protein targets and 621,060 small molecules.
- UniProt is database to provide the scientific community with a comprehensive, high-quality and freely accessible resource of protein sequence and functional information.
- The SIB Swiss Institute of Bioinformatics is an academic not-for-profit foundation which federates bioinformatics activities throughout Switzerland. In particular, it promotes research, develops databanks and computer technologies, and is involved in teaching and service activities.
- PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).
- ChemSpider is a database of chemicals. ChemSpider is owned by the Royal Society of Chemistry.
- The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies, biotech companies, and research universities.
- The DrugBank database is a comprehensive, freely accessible, online database containing information on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, DrugBank combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.
- Molinspiration supports internet chemistry community by offering free on-line services for calculation of important molecular properties (logP, polar surface area, number of hydrogen bond donors and acceptors and others), as well as prediction of bioactivity score for the most important drug targets (GPCR ligands, kinase inhibitors, ion channel modulators, nuclear receptors). Number of molecules processed per month exceeds 80,000!
- The ZDOCK server is freely available to all academic and non-profit users without any registration.
- PatchDock is an algorithm for molecular docking. The input is two molecules of any type: proteins, DNA, peptides, drugs. The output is a list of potential complexes sorted by shape complementarity criteria.
Last modified: Wednesday, 21 November 2018, 9:43 AM
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