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Hermes

Hermes is the integrated interface to CCDC’s life science applications with particular emphasis on the analysis of protein-ligand interactions.

 

Hermes acts as the central interface for several CCDC products, providing:

  • Simple docking setup for GOLD:  The Hermes interface provides advanced visualisation options and interactive docking setup. A docking wizard is available which will guide you through the essential configuration steps from preparing protein and ligand input files to selecting the optimal docking protocols. Docking results are easily navigated and visualised within Hermes. In addition, embedded post processing tools provide the ability to calculate descriptors for docked poses and to manipulate GoldMine databases.
  • Easy visualisation and analysis of Relibase+ search results. A protein structure explorer provides easy navigation of both individual structures and superimposed binding sites. Hermes also provides the interface for setting up cavity similarity searches. This enables you to compares cavities through their surface properties and topologies, thus allowing you to detect unexpected similarities between structures even when they have no obvious primary- or secondary-structure relationship.
  • Setup and display of SuperStar binding-site interaction maps. Hermes enables the protonation of raw PDB files and selection of SuperStar probe groups covering hydrophilic and lipophilic interaction types. Results can be displayed easily as contoured propensity maps within Hermes. Pharmacophore points can be derived automatically, and can be used for database searches or QSAR.

 

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