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The FightAids@Home project of the World Community Grid publicly provides the input sets of their runs. The original structures come from the ZINC database and have been processed from the mol2 to pdbqt format by the Scripps institute:
* asinex
* chembridge_buildingblocks_pdbqt_1000split
* drugbank_nutraceutics
* drugbank_smallmol
* fda_approved
* human_metabolome_pdbqt_1000split
* otava
* zinc_natural_products
Description
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Le projet FightAids@Home de la communauté internationale Grid fournit publiquement les ensembles d'entrée de leurs simulations. Les structures originelles proviennent de la base de données ZINC et ont été traitées depuis le format mol2 vers pdbqt par l'institut Scripps[nbsp]:
* asinex
* chembridge_buildingblocks_pdbqt_1000split
* drugbank_nutraceutics
* drugbank_smallmol
* fda_approved
* human_metabolome_pdbqt_1000split
* otava
* zinc_natural_products
Translated and reviewed by Jean-Marc
Located in Package: autodock-getdata
2467 of 106672 results

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