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  3. Postdoctoral researcher in computational drug discovery

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Postdoctoral researcher in computational drug discovery

The Faculty of Science and the Leiden Academic Center for Drug Research are looking for a Postdoctoral researcher in computational drug discovery

ongeveer een jaar geleden


Einsteinweg, Leiden, Zuid-Holland
Tijdelijk contract / Tijdelijke opdracht


Computational methods are of growing importance in the area of drug discovery. Methods such as machine learning (virtual screening) and structure-based drug discovery have shown to be able to speed up the process of identification of novel chemical matter (small molecules). In this project we are extending several established methods to the field of peptide modelling for peptide modelling to design novel antimicrobial peptides capable of combatting antibiotic resistant “superbugs”. For this we are building on our unique expertise in proteochemometric modelling (which is founded on a combination of molecular and protein descriptors). In addition, molecular dynamics simulation approaches will be applied. The project is a collaborative effort between Leiden University, the Amsterdam Medical Center, and a private partner. We are planning to experimentally validate the computational findings of this project to improve the model reliability You will be expected to visit the collaborative partners on a regular basis or meet via teleconferencing software.

In addition, you will be embedded in the Computational Drug Discovery group and expected to contribute to a number of ongoing collaborative projects with the Leiden Institute of Chemistry (LIC), the Institute of Biology (IBL), and the Leiden University Medical Center (LUMC). The lab has access to a wide range of software tools (including industry standard packages such as Schroedinger and Pipeline Pilot), an extensive set of both CPU and GPU compute resources, and the recently established university HPC environment ALICE.


We are looking for a highly motivated candidate, who has:

  • A PhD degree in Pharmaceutical Sciences, Informatics, Computational Chemistry, or related disciplines;
  • A strong interest in machine learning and computational drug discovery;
  • Experience in python with scikit learn, or R;
  • Excellent proficiency in English;
  • Good technical skills.


We offer a position for one year (on the basis of 0.8 FTE). Salary ranges from € 2.790,- to € 4.402,- gross per month based on a full time employment, (pay scale 10 in accordance with the Collective Labour Agreement for Dutch Universities).

Leiden University offers an attractive benefits package with additional holiday (8%) and end-of-year bonuses (8.3 %), training and career development. Our individual choices model gives you some freedom to assemble your own set of terms and conditions. Candidates from outside The Netherlands may be eligible for a substantial tax break.

Leiden University is strongly committed to diversity within its community and especially welcomes applications from members of underrepresented groups. LACDR is a highly diverse institute, in culture, background, and gender. We stand for excellence in a caring Institute. We wish to reflect society in all aspects, as we believe that this improves the dynamics in our organization. Therefore, we support and understand the need for a work/life/family balance and consequent varying working hours and places. We believe that doing good science is fun, and goes hand in hand with a friendly culture. In the Netherlands, a maternity allowance is standard for 16 weeks. Child care is available at and near the Bio Science Park.

Additional information

Inquiries about the research area can be made to Gerard van Westen, email gerard@lacdr.leidenuniv.nl. If you have any questions about the procedure, please contact Lia Hinne Hautvast, email l.e.hinne@lacdr.leidenuniv.nl.