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.

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.

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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 the Keiser Lab. Our lab combines machine learning and chemical biology methods to investigate how small molecules perturb entire protein networks to achieve their therapeutic effects. We are part of the Institute for Neurodegenerative Diseases. The Institute for Computational Health Sciences, the Department of Pharmaceutical Chemistry. And the Department of Bioengineering and Therapeutic Sciences.

University of California, San Francisco. What is Mass Spectrometry? Mass spectrometry is a method for accurately measuring the mass of molecules, and when used with proper controls can also be employed to measure the amount of a compound. The O-GlcNAc transferase is a direct target of the kinase GSK3β, which phosphorylates it on either serine 3 or 4.

Redefining Druggability using Chemoproteomic Platforms to Innovate Transformative Medicines. This is a neat discovery.