Molecular Networks GmbH - Inspiring Chemical Discovery


Newsletter, June 2008

Today, Molecular Networks announces the release of

  BioPath.Explore Version 1.0

a comprehensive database including a web-based retrieval system that provides access to metabolic transformations and cellular regulations derived from the Biochemical Pathways wall chart.

With its emphasis on chemical structure and reaction information BioPath.Explore offers a variety of novel applications for drug target identification and the modeling of biological systems. All structure and reaction information is stored on an atomic level allowing for direct access to all atoms and bonds of all metabolites and to the bonds broken and made during an enzymatic reaction.

Areas of application
  • Planning of metabolic engineering experiments
  • Gaining deeper insights into the mechanism of enzymatic transformations
  • Searching for novel enzyme inhibitors
  • Modeling of biological systems
 Key features
  • More than 2,000 biochemical molecules with connection tables including stereochemical information
  • More than 2,800 biochemical reactions stoichiometrically balanced, with marked reaction centers and atom-atom mapping numbers between substrates and products
  • Information on more than 2,500 enzymes (names and EC numbers) and 280 unique pathways (names)
  • All information manually curated
 Search and retrieval techniques
  • Standard structure search methods such as full-structure, substructure and similarity searches
  • 3D searches on conformational ensembles generated by CORINA and ROTATE
  • Reaction and reaction center searches
  • Property and text searches

Further Information
  • Product Details: Please refer to the BioPath.Explore product page on on the web site of Molecular Networks or contact us at info|at|molecular-networks.com.
  • Versions: BioPath.Explore is available for Microsoft Windows platforms. The graphical user interface (client) runs in a standard web browser (e.g., Internet Explorer or Mozilla Firefox).
  • Evaluation: Interested parties are invited to download a 30 days evaluation copy of BioPath.Explore Download Area of Molecular Networks or to test it online.

Molecular Networks GmbH Computerchemie - Erlangen - Germany
www.molecular-networks.com - info|at|molecular-networks.com

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