PhD Global Excellence and Mobility Scholarship (GEMS 2026). Research Project: Molecular Dynamics (MD)/QSAR screening of natural compounds for dengue antivirals

About the Project

We will develop a streamlined in-silico pipeline to prioritise natural anti-dengue compounds using molecular dynamics (MD) and QSAR modelling. Curated plant-derived and pharmacopeial libraries will be standardised, docked against dengue and host targets identified in Projects A-B, and evaluated via MD for complex stability (RMSD/RMSF, hydrogen bonds) and binding free energy (MM/GBSA). MD-derived features and chemical descriptors will train QSAR models using public antiviral datasets and small internal reference sets. Top candidates will be filtered by drug-likeness and predicted ADMET, delivering a ranked hit list and mini-panel for wet-lab validation. Outputs include curated libraries, reproducible code, QSAR models, and prioritised compounds.

This project is part of Monash University Malaysia’s Graduate Research Thematic Cluster, Predict-and-Prevent Severe Dengue: AI-Guided Multi-Omics & Natural-Compound Screening

Ideal candidate will be credited with laboratory experience in molecular virology, strong animal cell culture skills, and competency in standard molecular biology assays relevant to antiviral testing. Strength in hypothesis-led experimental design, meticulous record-keeping, and data integrity will be expected. Background in immunology and exposure to omics-based data analysis for target prioritization or mechanism studies will be considered advantageous. Structured training and cross-site mentoring will be provided, leveraging BDI platforms to advance shortlisted compounds toward validated leads.

How to Apply

It is suggested that you first contact the main supervisor and provide them with your academic background and achievements to determine whether you are a 'fit' for this research topic.

If you feel you are a good fit, submit your application here and ensure that you enter the same GEMS research topic as advertised on this webpage. To review the application requirements, please refer to our application submission guide. When submitting your application, please select the Global Excellence and Mobility Scholarship (GEMS). More information about GEMS is available here.

Funding Notes

The Global Excellence and Mobility Scholarship (GEMS), funded by Monash University Malaysia, features regional mobility and is awarded to highly qualified students seeking to work on projects of regional and global relevance.

Recipients of GEMS will be funded for an immersive year in either Monash University Australia, Monash University Indonesia, or the Indian Institute of Technology Bombay of up to 9 months and have access to Monash University’s global network of research expertise and infrastructure during their candidature period.

Eligibility

To be eligible for GEMS, you must possess a minimum academic qualification of First Class Honours (H1) or its equivalence (H1E) recognised by Monash University Malaysia and satisfy the English language requirements.