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ValidatorDB:CaseStudies

6 bytes removed, 12:51, 1 November 2014
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5. '''Experimental drugs''': Described in DrugBank as experimental drugs, i.e., have been shown to bind specific proteins in mammals, bacteria, viruses, fungi, or parasites.
:[[Media:Experimental drugs.txt | List of annotations (3-letter codes) of all molecules in this study]]
: [http://webchemdevwebchem.ncbr.muni.cz/Platform/ValidatorDb/Custom/ExperimentalDrugs Access the results of this case study]
On the other hand, the overall quality of the structure of experimental drugs is clearly much higher than the PDB-wide statistics for all ligands and non-standard residues.
6. '''Approved drugs''': Described in DrugBank as approved drugs, i.e., have received approval in at least one country.
:[[Media:Approved drugs.txt | List of annotations (3-letter codes) of all molecules in this study]]
: [http://webchemdevwebchem.ncbr.muni.cz/Platform/ValidatorDb/Custom/ApprovedDrugs Access the results of this case study]
For approved drugs, i.e., drugs already on the market, the situation is even better. About 95 % of these molecules are complete and have correct chirality, a consequence of their rather simpler structure, and that markedly more effort is expended in the determination of their structure in biomacromolecular complexes.

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