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>Database Structure

    The DBERI (DataBase of Enzymatic Reaction Intermediates) is a repository of atomic coordinates and other information describing reaction intermediates. The DBERI consists of “Reaction” elements, which describe reaction type and its participants. Each “Reaction” contains one or more “Reaction Paths”, which describe information of reaction mechanism and molecular modeling methods utilized and participants of reaction. Each “Reaction Path” contains “Structures” of intermediates and transition states with their relative energies (if available).

>Database Site Structure

  • Reaction search results
    Page contains all “reaction paths” grouped by “reaction”, which match your search query. Each “reaction path” is accompanied by a “doi” link to the article containing information about this reaction path.
  • Reaction path page
    Page contains information of the relative energies of intermediates and transition states, corresponding 3D structures in the pdb format and visualization plugin, which allow to inspect pdb structures and download them.