Aston Cluster of Excellence in Biomolecular Computation 

Aston University has sufficient critical mass in biomolecular computation to form and support the Aston Cluster of Excellence in Biomolecular Computation (ACEBC).

Our focus will be the interface of experimental and computational science concentrating on atomistic, mesoscale, and mathematical models of biologically, and pharmaceutically, relevant molecular systems. ACEBC will be an inter-school virtual centre.  

What draws the ACEBC group together is their area of application rather than the particular computational tools they use. Biology is indivisible and so should the science that seeks to understand it.


Staff associated with the Aston Cluster of Excellence in Biomolecular Computation:

The areas of interest within this group will include, but be in no way limited to, the following:

  • Quantum Mechanics, including Bohmian quantum dynamics; 
  • Analysis of the structure, properties, and behaviour of bio-macromolecules and supramolecular assemblies using Molecular Dynamics, Coarse-grained, and network models; 
  • Multiscale and multiphysics models of bimolecular systems; 
  • QSAR, Docking, and Virtual Screening and Drug Design;
  • Quantitative systems pharmacology, pharmacometrics and physiologically-based pharmacokinetic modelling; 
  • Biological informatics, encompassing bioinformatics and cheminformatics; 
  • Computational Vaccinology and immunoinformatics; 
  • Computational Pharmaceutics.