johnirwin.docking.org
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.
jme.docking.org
JME Distribution
Welcome to files.docking.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. Scaffolds - B-M scaf...
hei.docking.org
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. Future version...
erice2004.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2006.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2008.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2011.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2005.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2010.docking.org
Welcome to docking.org - free databases and tools for ligand discovery
Welcome to files.docking.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. Scaffolds - B-M scaf...
erice2012.docking.org
Erice Crystallography 2012 IT Support
Welcome to files.docking.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. Scaffolds - B-M scaf...
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