Molecular Dynamics Simulations

Molecular Modelling 

High Performance Computing

Machine Learning


Free Energy Calculations

Research Areas

Molecular and Structural Biophysics

Membrane Proteins

Designer Drugs 

New psychoactive substances (NPS)

Computational Biomedicine

Computational and Systems Genomics

The research conducted in our group involves the integration of in silico computational methods with experimental designs to determine the structural and dynamic properties of molecular-level interactions. 

One current theme centres on investigating the molecular mechanisms that underlie the function of the dopamine transporter (DAT). This work is divided into two main areas of inquiry: 

The biomedical endpoints of our research are focused on understanding the mechanisms of neurotransmission in both health and disease, as well as the underlying mechanisms of drug abuse. 

Other current and ongoing work where in silico models have in vitro/in vivo relevance includes: