Kerja Sepenuh Masa, Fully Funded Master Position (GRA) in Computational Chemistry di University Of Malaya Federal Territory - Maukerja

Are you passionate about artificial intelligence, computational chemistry, and advanced drug discovery?

We are looking for a highly motivated Master candidate (Graduate Research Assistant) to join our research team at the Department of Chemistry, Universiti Malaya (UM). Step into the exciting interface of machine learning and structural biology to help us unlock next-generation therapeutic candidates!

Project Title: Generative Molecular Design and Machine Learning for the AI-Driven Discovery of Furin Inhibitors from Natural Scaffolds

What You Will Do

You will develop an integrated computational pipeline to discover novel furin inhibitors. Furin is a crucial proprotein convertase involved in cancer progression and viral infections, making it an attractive therapeutic target for antiviral and anticancer agents. Your day-to-day will involve:

Machine Learning & QSAR Modelling: You will assemble curated datasets of experimentally characterized furin inhibitors. Using this data, you will construct predictive machine-learning models to identify key molecular descriptors that govern inhibitory potency and selectivity.

Virtual Screening & Cheminformatics: You will train models using physicochemical, topological, and electronic descriptors. Conduct rapid high-throughput screening on massive libraries of generated molecular structures.

Generative Molecular Design: You will employ deep generative models based on variational autoencoder architectures. These models will be used to design new inhibitor structures inspired by Natural scaffolds.

Molecular Simulations: You will evaluate promising candidates through molecular docking, molecular dynamics simulations, and binding free-energy calculations. These simulations will assess binding stability, conformational flexibility, and interaction patterns within the furin catalytic cleft.

Who We Are Looking For

Education: Bachelor’s degree in Chemistry, Bioinformatics, or related field.

Skills: Strong interest in AI-driven drug discovery and structure-based computational modelling.

Proficiency in Python, cheminformatics tools, or molecular dynamics software is highly advantageous.

Proficiency in spoken and written English.

Why Join Us?

Financial Support: Monthly allowance of RM 1,500 for up to 1.5 years (subject to performance).

High-Demand Skills: Gain extensive, hands-on experience with cutting-edge artificial intelligence frameworks and drug-protein molecular simulation software. You will learn to establish a scalable platform for transforming biodiversity into therapeutic candidates.

Prestige & Facilities: Conduct your research at UM, Malaysia’s premier university, with access to state-of-the-art high-performance computing facilities and a highly collaborative team.

How to Apply

Send your CV directly to:

Dr. Tang Wai Kit

Department of Chemistry, Faculty of Science, Universiti Malaya, 50603 Kuala Lumpur

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