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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...

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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. Future version...
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HEI - A Database of High Energy Intermediates for Docking | hei.docking.org Reviews

https://hei.docking.org

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...

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BCIRC - A bioinformatics and chemical informatics research center

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Crash the entire computer cluster. The Bioinformatics and Chemical Informatics Research Center (BCIRC) develops software tools, databases, and other resources that use chemistry to interpret biology. Currently, we offer several products:. A database of commercially available compounds for virtual screening. Currently version 8 (2008). Version 9 will appear in 2009. A free virtual screening service. Currently in beta test (since Nov 2007). A directory of useful decoys for benchmarking virtual screening.

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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...

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