FragmentStore -- Database of Molecular Fragments
What you can do:
Find information about biomolecules.
Highlights:
- FragmentStore is a resource for the comparison of fragments found in metabolites, drugs or toxic compounds.
- Starting from 13,000 metabolites, 16,000 drugs and 2200 toxic compounds, 35,000 different building blocks (fragments) were generated.
- It provides a variety of search options such as 2D structure, molecular weight, rotatable bonds, etc.
- Various analysis tools have been implemented including the calculation of amino acid preferences of fragments' binding sites, classification of fragments based on the enzyme classification class of the enzyme(s) they bind to and small molecule library generation via a fragment-assembler tool.
- Using the FragmentStore, it is now possible to identify the common fragments of different classes of molecules and generate hypotheses about the effects of such intersections.
Keywords:
- biomolecule
- molecular fragment
- metabolite
- drug
- toxic compound
Literature & Tutorials:
This record last updated: 06-14-2011