Project title: 

Computer simulations of bioactive molecules


Project duration:

4-6 weeks



This project will use sophisticated computer simulations to study how certain types of drug candidates interact with biological molecules. The aim of the project is to understand what controls how a drug molecule binds to its intended target in the body, and how to tailor the properties of the bioactive molecule. These insights will help in the design of new anti-cancer drug leads.


Expected outcomes and deliverables:

Scholars will gain skills in computer-based molecular modelling. They will use high-performance supercomputer technology to perform simulations and will learn how these types of simulations can be applied to drug design as well as many other areas of chemistry. Students may be asked to produce a short written report at the end of their project.


Suitable for:

This project is open to applications from UQ enrolled students majoring in Chemistry who have studied organic chemistry at 2nd and/or 3rd year level and have an interest in biological, organic, and/or theoretical chemistry.

Primary Supervisor:


Dr Elizabeth Krenske

Further info:

Interested students are encouraged to email Dr Elizabeth Krenske ( to discuss the project.