irwinlab.compbio ucsf.edu

Irwin Lab -

University of California, San Francisco. Irwin Lab UCSF. ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. DOCK Blaster is a public access service for structure-based ligand discovery. It aims to help you answer the question What small molecules should I purchase and test for activity against my biological target for which I have a structure? DOCKovalent is a covalent docking program.

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LINKS TO BUSINESS

DUD - A Directory of Useful Decoys

Welcome to DUD, a directory of useful decoys for benchmarking virtual screening. DUD is designed to help test docking algorithms by providing challenging decoys. A total of 2,950 active compounds against a total of 40 targets. DUD is provided by the Irwin. Labs in the Department of Pharmaceutical Chemistry. There is a DUD wiki page.

Welcome to ZINC Is Not Commercial - A database of commercially-available compounds

Welcome to ZINC, a free database of commercially-available compounds for virtual screening. ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. ZINC is provided by the Irwin.

DUD-E A Database of Useful Docking Decoys Enhanced

An enhanced and rebuilt version of DUD, a directory of useful decoys. DUD-E is designed to help benchmark molecular docking programs by providing challenging decoys. 22,886 active compounds and their affinities against 102 targets, an average of 224 ligands per target. 50 decoys for each active having similar physico-chemical properties but dissimilar 2-D topology. DUD-E is a collaboration of the Irwin. To cite DUD-E, please reference.

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TITLE

Irwin Lab -

DESCRIPTION

University of California, San Francisco. Irwin Lab UCSF. ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. DOCK Blaster is a public access service for structure-based ligand discovery. It aims to help you answer the question What small molecules should I purchase and test for activity against my biological target for which I have a structure? DOCKovalent is a covalent docking program.

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This website had the following in the web page, "University of California, San Francisco." Our analyzers analyzed that the web site stated " ZINC is a free database of commercially-available compounds for virtual screening." The Website also stated " ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. DOCK Blaster is a public access service for structure-based ligand discovery. It aims to help you answer the question What small molecules should I purchase and test for activity against my biological target for which I have a structure? DOCKovalent is a covalent docking program."

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