Centre for Molecular Design (CMD)

The Centre for Molecular Design was formed in 1993 to provide a central facility for research into molecular design, enabling researchers from a number of Schools across the University to pool resources and skills. Following the appointment of Professor Tim Clark as group leader in 2007, CMD continues to develop as a centre of excellence in computational chemistry and biology, with research focussed on the development of novel computational techniques for modelling, simulation, cheminformatics and bioinformatics.

A central theme of our research is the calculation and analysis of local molecular surface properties, to enable more reliable predictions of biological activity and physical properties. Software developed from this work is available from CEPOS InSilico.

Other current projects include the study of long-term molecular-dynamics simulations of bio-active peptides, in cooperation with the Peptide Research Network of Excellence(PeReNE) as part of the INTERREG IV A France (Channel) England Programme.

The Centre for Molecular Design is based in the School of Pharmacy and Biomedical Sciences and forms part of the Biomaterials and Bionanotechnology section of the Institute of Biomedical and Biomolecular Sciences.