Research
Research groups
Research interests
- Molecular simulations of biological systems
- Computer aided drug discovery
- Method development in molecular simulations
Current research
Computer simulations of molecular systems are a vital component of modern chemistry and physics. They are being used, for example, in such diverse areas of research as the fundamental physics of crystal nucleation, through to the design of new pharmaceutical entities. Research in the Essex group focuses on innovation in the application of computer simulations to biological systems, where there is the potential to contribute to drug discovery and the development of medical diagnostics. A key challenge restricting success has been limitations in the range of applicability of these computational methods, and in the extent to which accurate predictions may be made. To address these issues, a cros