Publisher
source

Markus Lill

6 days ago

Postdoctoral Position in AI-Driven Drug Design University of Basel in Switzerland

Degree Level

Postdoc

Field of study

Computer Science

Funding

Available

Deadline

Sep 24, 2026

Country flag

Country

Switzerland

University

University of Basel

Social connections

How do I apply for this?

Sign in for free to reveal details, requirements, and source links.

More information can be found here

Keywords

Computer Science
Chemistry
Biomedical Engineering
Deep Learning
Biology
Artificial Intelligence
Computational Chemistry
Molecular Modeling
Pharmacy
Chemoinformatics
ML

Suggested positions

About this position

Postdoctoral Position in AI-Driven Drug Design at the University of Basel, Switzerland.

The Computational Pharmacy group is seeking a postdoctoral researcher to work on next-generation artificial intelligence approaches for drug design. The project sits at the interface of AI, cheminformatics, computational chemistry, and molecular modeling, and is embedded in an international Innosuisse research collaboration focused on closed-loop drug discovery.

The role centers on building an integrated Design–Make–Test–Analyze (DMTA) platform that combines generative AI, ultra-large synthetically accessible chemical spaces, physics-informed molecular representations, off-target prediction, and experimental feedback. The methods developed in the project will be used in iterative prospective drug-discovery cycles, with a serine protease from the complement system as a real-world lead-optimization case study.

The successful candidate will develop and adapt machine-learning approaches for structure-based and generative molecular design, incorporate physicochemical and protein–ligand interaction information, and create computational workflows for closed-loop optimization based on affinity, selectivity, and molecular-property data. The project also involves prospective validation, publication, presentation, and reporting, together with close collaboration with computational scientists, chemists, biologists, and industrial partners.

Applicants should hold a PhD in Computational Chemistry, Cheminformatics, Computer Science, Physics, or a related discipline. Required experience includes strong machine learning/deep learning skills, excellent Python programming ability, and familiarity with at least one of: molecular generative AI, cheminformatics and molecular representations, or structure-based drug design/protein–ligand modeling. Knowledge of molecular modeling and the physicochemical basis of molecular recognition is highly desirable, alongside a strong publication record and fluent English communication skills.

The position is fully funded and available immediately. Applications must be submitted through the University of Basel online recruiting platform.

To apply, prepare a motivation letter (max. 1 page), CV with publication list, PhD certificate or confirmation of expected completion, and contact details for at least two academic references. Questions may be directed to Prof. Markus Lill at [email protected].

Funding details

Available

What's required

PhD in Computational Chemistry, Cheminformatics, Computer Science, Physics, or a related discipline; strong background in machine learning and deep learning; strong programming skills, particularly in Python; experience in at least one of molecular generative AI, cheminformatics and molecular representations, or structure-based drug design and protein–ligand modeling; experience with molecular modeling and a good understanding of physicochemical principles governing molecular recognition is highly desirable; strong publication record in internationally recognized, high-quality venues; fluent verbal and written English; highly motivated, independent, and collaborative researcher with interest in methodological development and prospective drug discovery.

How to apply

Submit a motivation letter, CV with publication list, PhD certificate or proof of expected completion, and contact details of at least two academic references. Apply through the University of Basel online recruiting platform. Direct questions to Prof. Markus Lill by email.

Ask ApplyKite AI

Start chatting
Can you summarize this position?
What qualifications are required for this position?
How should I prepare my application?

Professors