Your partner in computational drug design
Silicos-it is a Belgian consultancy company, founded in 2010 and specialised in computational drug design. We provide support in all aspects of modern computational drug design, including virtual screening, molecular dynamics applications, and state-of-the-art structure-activity machine learning models. In addition, we are also involved in writing open source software tools.
Since 2013, a strong relation with the University of Antwerp (UA) was established. Because of this, we can provide you with a complete set of solutions to all your questions related to computational drug design. This may include service work under the wings of the UA, submission and execution of a VLAIO project with the UA as academic partner, or some well-defined fee-for-service projects with Silicos-it as the commercial partner.
Do you like to find out more of what we can do for you? Then have a look at the research examples page on this website for ideas and opportunities. And the who are we page gives you insight into our history and where we are right now.
Do you think we can help you? We are open to many forms of collaboration. Therefore, do not hesitate to contact us to discuss your potential research ideas. Maybe it is the beginning of a mind-blowing research collaboration!
Our latest post
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C2PO: an ML‑powered optimizer of the membrane permeability of cyclic peptides through chemical modification
We have just published a new paper in Journal of Cheminformatics. This paper presents C2PO, a machine-learning tool designed to help scientists improve how well cyclic peptides can cross cell membranes. Poor membrane permeability is a major reason many peptide drugs fail to work when taken by mouth. C2PO predicts how easily a peptide can cross a membrane, then suggests small chemical changes to make it more permeable. Because AI-generated structures can sometimes be unrealistic, the system also includes an automatic correction step to ensure the resulting molecules are chemically sensible. Overall, the approach helps researchers explore better drug designs more efficiently. Many thanks to Roy Aerts, Joris Tavernier (Open Analytics), Alan Kerstjens (Hyle), and the people from Janssen Pharmaceutica (Mazen Ahmad, Jose Carlos Gómez-Tamayo, Gary Tresadern) for co-developing this work.