Computational Biology and Bioinformatics Lab

Centre for AI Driven Drug Discovery at Macao Polytechnic University

PhD Positions in AI Driven Drug Discovery (2026/2027 intake)

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🚀 PhD Recruitment: Computational Biology & AI-Driven Drug Discovery 🚀

Join our research team exploring the intersection of AI, computational biology, and drug discovery. We invite passionate and motivated PhD candidates to work on innovative projects including:

  1. Peptide Bioactivity Prediction, Discovery & Design
    Develop machine learning and deep learning methods to predict and design peptides with therapeutic potential—antimicrobial, anticancer, antioxidant, toxins, and antitoxins.
  2. Target-Specific Peptide Generative Modeling
    Advance generative AI models customized for designing peptides targeting specific proteins and disease pathways.
  3. Small Molecule Inhibitor Discovery via AI-Driven Drug Discovery (AIDD) & Computer-Aided Drug Design (CADD)
    Apply AI and computational chemistry tools to identify and optimize novel small molecule therapeutics.
  4. Large Language Models and Agentic Biomedical Data Curation
    Harness literature mining and natural language processing to automate extraction and curation of biomedical knowledge for accelerated discovery.
  5. Molecular Mechanisms in Disease
    Investigate disease-related molecular mechanisms, particularly microbial drug resistance, cancer progression, and ageing, using integrative computational approaches.

Application: Applications are considered on a rolling basis. The final application deadline is 15 May 2026.

Qualifications:

  • Have a rigorous attitude, team spirit, good communication skills, positive and optimistic attitude
  • Master’s degree in Computational Chemistry, Computational Physics, Computational Biology, Bioinformatics or related fields
  • Students with a background in Pharmaceutical Sciences and Life Sciences, with skills in peptide synthesis and experiments, and a passion to learn AI, will also be considered.
  • Experienced in Python (AI) Programming
  • Familiar with molecular modeling and simulation is a plus
  • Good command of English, verbal and writing
  • Scholarship requirement: At least one first-authored SCI journal publication
    • Full scholarship MOP20,000/month, max. 3 years
    • Half scholarship MOP10,000/month, max. 3 years

Duration:

  • Typically 3-4 years
  • The programme will be taught at Macao and Hengqin campuses starting from Academic Year 2026/2027.

Programme and Admission information:

Contact:

Enquiries and applications including a letter of interest, CV, transcripts, and representative publications should be sent to Shirley Siu (shirleysiu@mpu.edu.mo).

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