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HYDE specifications

Information


Unique identifier OMICS_20180
Name HYDE
Alternative name HYdrogen bond and DEhydration energies
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Stability Stable
Registration required Yes
Maintained Yes

Versioning


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Documentation


Maintainer


  • person_outline Matthias Rarey <>

Additional information


HYDE is also embedded in SeeSAR.

Publication for HYdrogen bond and DEhydration energies

HYDE in publications

 (2)
PMCID: 4647334
PMID: 26573537
DOI: 10.1186/s12918-015-0224-5

[…] file is calculated prior to the docking procedure. the poses are pruned and a final optimization step is performed before the poses are scored []. to shortlist the strong binding metabolites, the hyde scoring function in the leadit software suite was employed. leadit version 2.0.1 is an interactive graphical user interface, which embeds both docking and fragment-based design tools, flexx […]

PMCID: 4583420
PMID: 26406322
DOI: 10.1371/journal.pone.0138957

[…] screening step were re-ranked according to their rmsd, considering only those compounds with a similar pose in both docking tools (rmsd < 2.0 å). the top-ranked poses were re-assessed using the “hyde” scoring function implemented in the lead-it software package []. 12 hits were chosen on the basis of the estimated free-energy of binding and purchase availability., the expression […]


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HYDE institution(s)
Center for Bioinformatics, University of Hamburg, Hamburg, Germany; Bayer CropScience AG, Frankfurt am Main, Germany; BioSolveIT GmbH, St. Augustin, Germany
HYDE funding source(s)
Supported by Bayer CropScience AG and Bayer Pharma AG.

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