Personal profile


Faculty of Pharmacy and Pharmaceutical Sciences

Monash Institute of Pharmaceutical Sciences 

Medicinal Chemistry Theme


  • Medicinal chemistry
  • Computational chemistry
  • Drug design
  • Peptides and peptide analogues
  • Computational drug formulation
  • Artificial intelligence and machine learning


  • BPS2022 - Drug discovery and design
  • BPS3031 - Computational drug design
  • MPS5103 - Drug design and optimisation


My research uses computational modelling methods to design new drugs and medicines. Using molecular dynamics simulations, molecular docking, machine learning and other methods, we aim to to understand how drugs bind to receptors and also how drugs can be formulated into tablets or capsules. Information from our computational models is used to design and synthesise new small molecules and peptides targeting a diverse range of diseases and conditions.


  • PhD projects
  • Honours projects

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 14 - Life Below Water

Research area keywords

  • Drug Design
  • Computational Chemistry
  • Medicinal Chemistry
  • Fragment Based Drug Design
  • Molecular Dynamics
  • Pharmaceutical Sciences
  • Peptide Chemistry
  • Nano-Materials
  • HIV
  • anti-infective agents
  • anti-viral drugs
  • Molecular Modeling

Collaborations and top research areas from the last five years

Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
  • Medicinal Chemistry

    David Chalmers (Member)

    1 Aug 2013

    Activity: External Academic EngagementSubmissions to industry or govt committees, commissions and inquiries