Computational methods

Excellent facilities, including a dedicated parallel computing cluster, are available for the in silico design of biological active small molecules. A wide range of projects use the known structure of a target protein as a starting point for the design of small molecule inhibitors. The SPROUT software suite has been continuously developed in Leeds over many years, and allows the de novo design of ligands within the context of a binding site. Researchers are also able to use the computational facilities for bioinformatics provided within the Astbury Centre, for docking, sequence analysis and protein structure prediction.

Contact details

For further information contact: 
Richard Foster
0113 3435759
R.Foster@leeds.ac.uk