Computational Sciences and Informatics

Our computational sciences department has decades of experience and plays a pivotal role in many drug discovery projects. There is close collaboration between Sygnature’s computational scientists and medicinal chemists, and the clients scientific team. Our computational scientists support drug discovery projects during target analysis, hit identification, hit-to-lead and lead optimisation. Sygnature also offers computational chemistry as a stand-alone capability, such as in silico based virtual high-throughput screening (vHTS), or supporting drug discovery activities elsewhere.


In a recent publication, Steve St-Gallay, Principal Scientist, and Colin Sambrook-Smith, Director of Computational Chemistry describe how computer-aided drug design and the wide variety of tools and techniques available, provide support for design and analysis and help clients to improve the quality of compounds synthesised thus reducing the timelines of drug discovery projects. In this article, the authors reveal how this is successfully and effectively achieved at Sygnature. The authors state “Impact on medicinal chemistry is vital to demonstrating the value of computational chemistry, and we discuss the approaches taken to influence the list of compounds for synthesis, and how we recognise success. Finally we touch on some of the areas being developed within the team in order to provide further value to the projects and clients. ” Read our article.


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