Postdoc in AI-Driven Design of Selective Inhibitors – DTU Bioengineering, Denmark

The Technical University of Denmark (DTU) is inviting applications for a Postdoctoral Researcher position in AI-driven computational protein design at DTU Bioengineering, Kgs. Lyngby, Denmark. The project focuses on developing next-generation, highly selective protein inhibitors targeting fungal receptors by combining generative artificial intelligence, computational structural biology, protein engineering, and experimental validation.

The successful candidate will lead computational design cycles, develop de novo protein inhibitors, analyze receptor–ligand interactions, prioritize computational candidates, and collaborate with wet-lab researchers to experimentally validate and refine designs. The position provides an opportunity to build an independent research profile at the interface of AI, structural biology, fungal biology, protein engineering, and translational biotechnology.

Postdoc in AI-Driven Design of Selective Inhibitors for Antifungal Receptor Targets – DTU Bioengineering, Denmark

Job Summary Table

Designation

Postdoctoral Researcher / Postdoc

Research Area

The position covers several interdisciplinary research areas, including:

• Computational protein design
• Generative artificial intelligence for protein engineering
• Structural biology
• Protein structure prediction
• Molecular modelling
• Bioinformatics
• Machine learning
• Protein and peptide design
• Fungal receptor biology
• Antifungal drug development
• Biophysics
• Translational biotechnology

Location

DTU Bioengineering
Technical University of Denmark
Søltofts Plads
2800 Kgs. Lyngby, Denmark

The position is based at DTU’s Lyngby Campus, within an international and multidisciplinary research environment.

Eligibility / Qualification

Applicants must:

• Hold a PhD degree or equivalent in computational biology, bioinformatics, structural biology, biophysics, machine learning, protein engineering, or a related discipline.
• Have demonstrated experience in protein-structure prediction, molecular modelling, or computational protein design.
• Have practical experience with generative AI approaches for protein or peptide design.
• Possess strong programming and computational workflow-development skills.
• Be capable of analyzing, interpreting, and prioritizing large sets of computationally designed candidates.
• Demonstrate the ability to work independently while collaborating effectively with computational and experimental researchers.
• Have excellent written and spoken English communication skills.

Job Description

The successful candidate will use state-of-the-art generative AI and computational structural-biology methods to design selective protein inhibitors targeting fungal receptors.

Key responsibilities include:

• Designing de novo protein inhibitors using advanced tools such as RFdiffusion3 and LigandMPNN.
• Modeling receptor–ligand interactions and evaluating binding specificity.
• Analyzing structural, biophysical, and sequence-based properties to prioritize promising candidates.
• Working closely with wet-lab researchers conducting cell-based validation assays.
• Integrating experimental results into iterative design–build–test cycles.
• Developing reproducible computational workflows and effective data-management practices.
• Interpreting experimental validation data and using these findings to improve subsequent computational designs.
• Contributing to research publications and the development of follow-on funding proposals.
• Helping advance computational approaches for developing potential therapeutic modalities against fungal diseases.

The project offers an opportunity to work at the interface of fundamental receptor biology, AI-driven protein engineering, and antifungal therapeutic development.

Employment Terms and Benefits

The appointment will be made according to the collective agreement with the Danish Confederation of Professional Associations. Salary supplements may be negotiated according to DTU’s salary structure for scientific staff.

The appointment is for one year, from 1 January to 31 December 2027.

DTU offers an international research environment characterized by academic excellence, collegial respect, academic freedom, and responsibility. The university provides opportunities for scientific collaboration, career development, and interdisciplinary research.

How to Apply

Applicants must submit their complete application online through the DTU Career Site.

The application must be submitted as one PDF file containing all materials in English:

1. Cover letter / Application
2. Curriculum Vitae (CV)
3. Academic diplomas, including MSc and PhD diplomas, in English
4. List of publications

Candidates should use the “Apply now” option on the DTU job advertisement and upload the complete PDF through the online application system.

Applications received after the deadline will not be considered.

For further information about the position, applicants may contact:

Associate Professor Emil Damgaard Jensen
Email: emdaje@dtu.dk

Last Date for Apply

12 October 2026 at 23:59 Danish time

Job Identification: 8234

About DTU Bioengineering

DTU Bioengineering is an international research leader in biotechnology and biomedicine, with approximately 400 employees and extensive collaborations with research institutions and industry partners. The department applies engineering approaches to biotechnology and biomedicine, contributing to innovation, healthcare, and the growing bio-based economy.

The Technical University of Denmark is one of Europe’s leading technical universities, with approximately 13,800 students, 1,600 PhD students, and 6,500 employees working in an international research and education environment.

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