BCIRC - A bioinformatics and chemical informatics research center

Crash the entire computer cluster. Welcome to BCIRC, a bioinformatics and chemical informatics research center, residing in the Shoichet Laboratory of the Department of Pharmaceutical Chemistry at the University of California, San Francisco UCSF. To use chemistry to interpret and inform biology, using both structure-based methods such as virtual screening and chemical structure methods using fingerprints, clustering, and molecular similarity metrics. A product of BCIRC.

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LINKS TO BCIRC.DOCKING.ORG

DOCK Blaster - A Free Virtual Screening Server

How much is DOCK Blaster used? Start with a structure. Start with a PDB code. Can I trust DOCK Blaster results? What do DOCK Blaster results mean? How long does DOCK Blaster take? DOCK Development Interest Group. We accept no responsibility for errors arising from the use of this service. It is provided in the hope that it will be useful, but you must use it at your own risk.

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 docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

Welcome to docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

Welcome to docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

Welcome to docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

Welcome to docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

Welcome to docking.org - free databases and tools for ligand discovery

org! This area contains static files to support ZINC, DOCK, DUDE, SEA and other products. Each file is timestamped so you know how fresh it is. Supported by NIH GM71896 to BKS and JJI. We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this website. These files are provided in the hope that they will be useful, but you must use them at your own risk. 2D - 2D files for chemoinformatics.

HEI - A Database of High Energy Intermediates for Docking

A Database of High Energy Intermediates for Substrate Docking. Welcome to HEI, a database of high energy intermediates for docking. This first version of HEI anticipates a single reaction class, where the first step is nucleophilic attach of a hydroxide nucleophile leading to a high energy intermediate. Moreover, we have selected in this version only certain chemotypes that are known or thought to be recognized and turned over by amidohydrolases. HEI is provided by the Shoichet Laboratory.

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.

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BCIRC - A bioinformatics and chemical informatics research center

DESCRIPTION

Crash the entire computer cluster. Welcome to BCIRC, a bioinformatics and chemical informatics research center, residing in the Shoichet Laboratory of the Department of Pharmaceutical Chemistry at the University of California, San Francisco UCSF. To use chemistry to interpret and inform biology, using both structure-based methods such as virtual screening and chemical structure methods using fingerprints, clustering, and molecular similarity metrics. A product of BCIRC.

PARSED CONTENT

The web site bcirc.docking.org states the following, "Welcome to BCIRC, a bioinformatics and chemical informatics research center, residing in the Shoichet Laboratory of the Department of Pharmaceutical Chemistry at the University of California, San Francisco UCSF." I noticed that the website also said " To use chemistry to interpret and inform biology, using both structure-based methods such as virtual screening and chemical structure methods using fingerprints, clustering, and molecular similarity metrics."

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