Rahul Sharma (Editor)

Simbiosys

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Type
  
Subsidiary

Website
  
www.simbiosys.com

Founded
  
2001

Industry
  
Life Sciences

Headquarters
  
Toronto

Parent organization
  
John Wiley & Sons

Simbiosys uploadwikimediaorgwikipediaen449Simbiosyspng

Key people
  
Zsolt Zsoldos, Chief Technology Officer

SimBioSys (short for Simulated Biomolecular Systems) is a Toronto-based chemistry software company focusing on structure based drug discovery and retrosynthetic analysis tools. It has established a strong reputation as one of the leading developers of flexible docking applications, virtual screening methods and computer aided organic synthesis design.

Contents

In 2014, SimBioSys was acquired by John Wiley & Sons.

Areas of Expertise

Founded by a group of computer scientists and chemists, SimBioSys combines sophisticated search algorithms, machine learning techniques and informatics approaches with chemical knowledge and modelling.

Products

  • eHiTS - A fragment based flexible docking software. eHiTS uses an exhaustive and systematic search algorithm that is designed to find the global minimum energy pose of ligands in proteins' binding pockets. The application uses SimBioSys' proprietary scoring function. In 2008 the company ported its docking software to Sony's PlayStation 3 and other Cell Broadband Engine platforms to achieve higher screening speeds. That created huge interest especially with researchers using PlayStation 3 cluster technology.
  • LASSO - A similarity based virtual screening tool that uses elements of eHiTS scoring function to identify bioactive molecules in large libraries of compounds.
  • ARChem - A retrosynthetic analysis tool that searches for possible synthetic routes from commercially available starting materials to target molecules.
  • CheVi - SimBioSys' 3D molecular visualization software.

    • Partnerships

    SimBioSys maintains marketing partnership with KeyModule. It distributes the UK based company's lead design tool, SPROUT, as well as other products.

    References

    Simbiosys Wikipedia
    (Text) CC BY-SA


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