About Silicos-it

Silicos-it is contributing its expertise to the chemoinformatics community by porting as much as possible of source code into the open source domain. Examples include our spectrophore descriptors, our filtering program filter-it and our pharmacophore tool align-it.

Focus

Silicos-it has been recognized as a preferred commercial partner providing services within the field of chemoinformatics and molecular modeling. If you have a specific problem for which you seek a solution in one of those scientific domains, changes are very likely that we can help you. Silicos-it has experience in many of these areas, including hit identification using protein docking applications, similarity- and pharmacophore-based searches, compound clustering, and structure-activity relationships. In addition, we can also help you in setting up specialised in-house chemistry-aware IT-solutions, such as chemical web-based datastorage platforms build on top of open source back-end information technologies.

History

The company was founded in 2005 by Hans De Winter, Wilfried Langenaeker and Gert Thijs. At that time the company was simply called Silicos. In 2011, a shift in focus was introduced, hereby moving away from services using closed source software into the direction of services using - to a large extent - open source chemoinformatics tools. To emphasize this complete refocus, the name Silicos was changed into Silicos-it.

Since 2011, Silicos-it has been managed by Hans De Winter. Hans’ curriculum includes more than nine years of industrial expertise as a computational chemist at Johnson & Johnson, academic expertise from the Victorian College of Pharmacy in Melbourne (Australia) and the Rega-institute at the University of Leuven in Belgium, and was co-founder and chief scientific officier of Silicos. Since recently, he also holds a lecturer position at the University of Antwerp within the department of Pharmaceutical, Biomedical and Veterinary Sciences.

Contact

Silicos-it
Wervehof 5B/7,
2110 Wijnegem
Belgium
mobile +32 472 368 875

Customers

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Citations

The open source tools of Silicos-it have been cited in other scientific publications:

Sanders, M.P.A.; Barbosa, A.J.M.; Zarzycka, B.; Nicolaes, G.A.F.; Klomp, J.P.G.; de Vlieg, J. & Del Rio, A. (2012) ‘Comparative analysis of pharmacophore screening tools’, J. Chem. Inf. Model., 52, 1607-1620. [pubmed/22646988]

Taylor, R.; Cole, J.C.; Cosgrove, D.A.; Gardiner, E.J.; Gillet, V.J. & Korb, O. (2012) ‘Development and validation of an improved algorithm for overlaying flexible molecules’, J. Comput. Aided Mol. Des., 26, 451-472 [pubmed/22538643]

Chan, S.L. & Labute, P. (2010) ‘Training a scoring function for the alignment of small molecules’, J. Chem. Inf. Model., 50, 1724-1735 [pubmed/20831240]

Hutchison, G.R.; Morley, C.; James, C.; Swain, C.; De Winter, H.; Vandermeersch, T. & O’Boyle, N.M. (Ed.) (2011) ‘Open Babel, or how I learned to love the chemistry file format’ [pdf]

Free software foundation

Contents

Current projects

  • Optimisation of novel PPI's
  • Design of anti-viral compounds
  • Novel fragment-based descriptors

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