Computer-aided design plays an important role in Sygnature’s medicinal chemistry projects. Our computational chemistry service is provided by pharmaceutical industry-experienced computational chemists using a variety of industry-standard molecular modelling software. In order to accelerate a project towards success, there is close collaboration between Sygnature’s computational and medicinal chemists, and scientists from the client company. Our computational chemistry team is able to support a number of key phases in drug discovery, such as hit finding, hit-to-lead and lead optimisation, and model the 3-D structures of target biomolecules, to give added value to the services provided and drive projects forward.
Sygnature offers computational chemistry as a stand-alone service, such as undertaking in silico-based virtual screening projects, or integrated into projects to support and guide medicinal chemistry activities during the hit-to-lead and lead optimisation phases. Sygnature offers a range of proven computational chemistry capabilities to support our clients’ drug discovery activities, including:
- Virtual screening (structure-based and ligand-based design)
- QSAR and CoMFA
- Cheminformatics