Our computational chemists support lead identification based on the results of HTS as well as using pure in silico methodology, including protein- and target-based approaches.
Fragment-based drug design is done in collaboration with our crystallographers. The SAR studies are supported by molecular modelling while ADME properties and safety aspects can be assessed using a variety of available models.
The team has experience in target-focused library design. Issues associated with intellectual property can be dealt with by either morphing into a new chemotype or by de novo design.