Simbiosys SimBioSys 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 .John Wiley & Sons as part of their Research division.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 . Chemical Abstracts Service .Partnerships SimBioSys maintained a marketing partnership with KeyModule, distributing the UK based company's lead design tool , SPROUT, as well as other products .
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