Postdoctoral position in structure-based drug design using machine learning

Are you interested in developing virtual screening techniques to discover novel drugs? We welcome you to apply for a postdoctoral position in the international and scientifically excellent research environment at the Department of Cell and Molecular Biology, Uppsala University.
The Department of Cell and Molecular Biology
(
https://icm.uu.se
)
is organized into seven research programs focusing on Computational Biology and Bioinformatics, Microbiology and Immunology, Molecular Biology, Molecular Biophysics, Molecular Evolution, Molecular Systems Biology, and Structural Biology. The position is available in the research group led by Prof. Jens Carlsson, which is part of the Computational Biology and Bioinformatics program. The Carlsson group develops and applies molecular modeling techniques to study protein-ligand interactions, particularly how receptors and enzymes interact with drugs. G protein-coupled receptors (GPCRs) are a key research area for the Carlsson group because of their important roles in physiological processes. The Carlsson group uses structure-based models to understand the molecular mechanisms of GPCR signaling and to design ligands for these pharmaceutically important targets, often in close collaboration with experimental groups. The Carlsson group is an international research team and is also affiliated with the Science for Life Laboratory (
http://www.scilifelab.se/
). Visit the group website for more information (
www.carlssonlab.org
).
Duties
The main goals of the project are to develop and apply structure-based virtual screening techniques to identify ligands for peptide-binding GPCRs in large chemical libraries. The project will use molecular docking and machine learning techniques to screen for ligands in combinatorial libraries of peptides and peptidomimetics, as well as in collections of naturally occurring peptides from microbes, plants, and animals. The project also involves collaborations with experimental research groups within the Biodiversity2Drugs consortium (
https://www.biodiversa.eu/2025/04/08/biodiversity2drugs
/), which focus on identifying bioactive peptides that target GPCRs of therapeutic relevance.
Requirements
PhD degree in computational chemistry or a foreign degree equivalent to a PhD degree in computational chemistry. The degree needs to be obtained by the time of the decision of employment. Priority will be given to applicants who have completed their degree no more than three years before the deadline for applications. Due to special circumstances, the degree may have been obtained earlier. The three-year period can be extended due to circumstances such as sick leave, parental leave, duties in labour unions, etc.
Strong expertise in computational chemistry, with demonstrated experience in cheminformatics and structure-based ligand design, is required. Proficiency in molecular docking or co-folding methods for predicting protein–ligand complexes and experience in working with chemical libraries are also required. Excellent written and spoken English is required as the work takes place in an international environment. We attach great importance to personal qualities, in particular good collaborative abilities, motivation, creativity and independence.
Additional qualifications
Experience in machine learning, scientific programming, and structure-based modeling of GPCRs and peptides is preferred but not required.
About the employment
The employment is a temporary position of two years according to central collective agreement. Full time position. Starting date 2027-01-01 or as agreed. Placement: Uppsala.
For further information about the position, please contact:
Jens Carlsson, jens.carlsson@icm.uu.se, Tel: +46 (0)72 227 7976.
In this recruitment we have replaced the cover letter with questions that you are asked to answer when making your application. The answers will be used as a part of the selection process.
Please submit your application by 23 November 2026, UFV-PA 2026/3253.
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