NovaMechanics is a unique drug design and discovery contract research organisation.

NovaMechanics provides bespoke in silico drug design and discovery products and services centred on high throughput computational techniques.

NovaMechanics' proprietary algorithms can rapidly convert ligand information or protein structure information into new chemical designs, maximising the value within the research portfolio of a pharmaceutical partner. NovaMechanics combines expert modelling and first class synthetic chemistry knowledge to ensure that projects are chemistry driven whilst maximising CADD technology. Furthermore the research team has experience in a range of CADD techniques from protein and ligand modelling, structure based design methods, chemoinformatics for data management and ADMET.

Using virtual screening and informatics methods, the NovaMechanics approach significantly reduces costs and timescales by providing drug candidates with the highest possible chance of success.  Industry-leading methods for receptor docking and simulation are used to select structure-based drug design targets for laboratory testing, and large-scale pharmacophore searching and QSAR analysis are used to identify ligand-based targets. Using its proprietary computational software, NovaMechanics creates novel, patentable lead molecules as candidates for drug development against both enzyme and receptor based targets.

NovaMechanics provides access to commercially available, proprietary and virtual chemical databases on the multi million compound scale with predefined drug characteristics. Virtual design is used to access new compounds and create bespoke virtual libraries that allow access to new and better high calibre drug candidates for a wider range of disease.

NovaMechanics expanded its services and research to the development of computational methods in order to support the different phases in the drug discovery process, from hit finding through lead optimization. Also the in-silico development of potent therapeutic agents for the treatment of different diseases by understanding the interactions at the molecular level.