Projects per year
Personal profile
Biography
Faculty of Pharmacy and Pharmaceutical Sciences
Monash Institute of Pharmaceutical Sciences
Medicinal Chemistry Theme
Expertise
- Medicinal chemistry
- Computational chemistry
- Drug design
- Peptides and peptide analogues
- Computational drug formulation
- Artificial intelligence and machine learning
Teaching
- BPS2022 - Drug discovery and design
- BPS3031 - Computational drug design
- MPS5103 - Drug design and optimisation
Research
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.
Training
- PhD projects
- Honours projects
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
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):
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SDG 3 Good Health and Well-being -
SDG 14 Life Below Water
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
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New strategy to safely and effectively reduce diabetic kidney disease
Chai, Z.-L. (Primary Chief Investigator (PCI)), Chalmers, D. (Chief Investigator (CI)) & Cooper, M. (Associate Investigator (AI))
1/01/22 → 31/12/25
Project: Research
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alpha1-adrenoceptor protein structures and selective tools: towards novel treatments for heart failure and Alzheimer’s disease
Scott, D. J. (Primary Chief Investigator (PCI)), Abdul-Ridha, A. (Chief Investigator (CI)), Chalmers, D. (Chief Investigator (CI)), Draper-Joyce, C. J. (Associate Investigator (AI)), Gooley, P. R. (Associate Investigator (AI)), Adlard, P. A. (Associate Investigator (AI)), Lankadeva, Y. R. (Associate Investigator (AI)), Betrie, A. H. (Associate Investigator (AI)), Graham, B. (Associate Investigator (AI)) & Thal, D. (Associate Investigator (AI))
NHMRC - National Health and Medical Research Council (Australia)
1/01/22 → 31/12/25
Project: Research
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Australasian Computational and Simulation Commons
Mark, A. E. (Primary Chief Investigator (PCI)), Chalmers, D. (Associate Investigator (AI)), Sroet, M. (Project Manager), Bernhardt, D. (Chief Investigator (CI)), Krenske, E. H. (Chief Investigator (CI)), Mancera, R. L. (Chief Investigator (CI)), O'Mara, M. L. (Chief Investigator (CI)), Yu, H. (Chief Investigator (CI)), Pas, E. (Chief Investigator (CI)), Goerigk, L. (Chief Investigator (CI)), Deplazes, E. (Associate Investigator (AI)), Malde, A. (Associate Investigator (AI)), Smith, B. J. (Associate Investigator (AI)) & Haung, D. (Associate Investigator (AI))
30/06/21 → 31/12/22
Project: Research
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Resolving and targeting the complex molecular mechanisms underlying GPCR signalling
Bathgate, R. (Primary Chief Investigator (PCI)), Scott, D. J. (Chief Investigator (CI)), Gooley, P. R. (Chief Investigator (CI)), Griffith, M. (Chief Investigator (CI)), Chalmers, D. (Chief Investigator (CI)) & Hubbard, R. (Chief Investigator (CI))
1/01/18 → 31/12/21
Project: Research
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Targeting novel sites on reverse transcriptase for HIV treatment and prevention
Tachedjian, G. (Primary Chief Investigator (PCI)), Chalmers, D. (Chief Investigator (CI)), Sluis-Cremer, N. (Chief Investigator (CI)), Arnold, E. (Chief Investigator (CI)), Thompson, P. (Chief Investigator (CI)), Headey, S. (Chief Investigator (CI)) & Latham, C. F. M. (Chief Investigator (CI))
1/01/17 → 31/12/19
Project: Research
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Hydrophobicity-Controlled Self-Assembly of Supramolecular Peptide Nanotubes in Water
Zeng, M., Parsons, W., Chen, Y., Chalmers, D. K. & Perrier, S., 26 May 2025, In: Angewandte Chemie - International Edition. 64, 22, 8 p., e202423828.Research output: Contribution to journal › Article › Research › peer-review
Open Access7 Link opens in a new tab Citations (Scopus) -
Re-evaluation of Cyclic Peptide Binding to Neurotensin Receptor 1 by Shifting the Peptide Register during Synthesis
de Zhang, L. A., Liu, M., Scott, D. J. & Chalmers, D. K., 9 Jan 2025, In: ACS Medicinal Chemistry Letters. 16, 1, p. 157–162 6 p.Research output: Contribution to journal › Article › Research › peer-review
Open Access -
Developing insulin-like peptide 5-based antagonists for the G protein-coupled receptor, RXFP4
Wu, H., Handley, T. N. G., Hoare, B. L., Hartono, H. A., Scott, D. J., Chalmers, D. K., Bathgate, R. A. D. & Hossain, M. A., Jun 2024, In: Biochemical Pharmacology. 224, 14 p., 116239.Research output: Contribution to journal › Article › Research › peer-review
4 Link opens in a new tab Citations (Scopus) -
Engineering of Novel Analogues That Are More Receptor-Selective and Potent than the Native Hormone, Insulin-like Peptide 5 (INSL5)
Wu, H., Hartono, H. A., Handley, T. N. G., Hoare, B. L., Rosengren, K. J., Chalmers, D. K., Bathgate, R. A. D. & Hossain, M. A., 12 Dec 2024, In: Journal of Medicinal Chemistry. 67, 23, p. 20966-20979 14 p.Research output: Contribution to journal › Article › Research › peer-review
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Graph Neural Network-Based Molecular Property Prediction with Patch Aggregation
See, T. J., Zhang, D., Boley, M. & Chalmers, D. K., 22 Oct 2024, In: Journal of Chemical Theory and Computation. 20, 20, p. 8886–8896 11 p.Research output: Contribution to journal › Article › Research › peer-review
6 Link opens in a new tab Citations (Scopus)
Activities
- 1 Submissions to industry or govt committees, commissions and inquiries
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Medicinal Chemistry
Chalmers, D. (Member)
1 Aug 2013Activity: External Academic Engagement › Submissions to industry or govt committees, commissions and inquiries