Postdoctoral Researcher in Computational Chemistry and Novel Receptor Ligand Design

Parkinson’s disease (PD) is the most prevalent neurological disorder after Alzheimer’s pathology. Physical symptoms, such as the inability to move, are caused by the progressive degeneration of dopamine neurons located in the substantia-nigra. There is currently no cure for PD nor is there a long-term effective treatment.

In our quest to find novel therapeutic approaches to treat PD we have identified the Gucy2c receptor as a potential target. This receptor is specifically expressed in the substantia nigra. This receptor improves clinical symptoms comparable to levodopa in an animal PD model whereas complementary studies have shown that the Gucy2c receptor also protects dopamine neurons against toxic insults and cell death. Due to its specific expression, therapeutically targeting Gucy2c would have no side-effects, restore dopamine levels and prevent further neurodegeneration. Here we aim to develop a potent and highly specific Gucy2c peptide-ligand. To achieve this, we will combine rational design with a computationally-based active learning workflow.

For this project we are looking for an enthusiastic post-doc with a strong background in computational chemistry willing to work on this multidisciplinary project in Amsterdam as well as in Londen. In Amsterdam you will be based within The Computational Chemistry Group and in London within the Centre for Computational Science. The project will be coordinated by the Molecular Neuroscience group housed at the Swammerdam Institute for Life Sciences.

What are you going to do?
You are expected to:

• work in a multidisciplinary team at the University of Amsterdam and University College London (both expected to be 6 months);
• to design novel peptide ligands for the Gucy2c receptor using computational chemistry and rational design;
• identify the most optimal novel ligands by a novel computational active learning;
• to report and present your work-progress on a regular basis to the research partners and stakeholders within this project;
• participate actively in the fundamental research of the computational chemistry team;
• participate actively in the development and application of both physics-based and AI methodologies, individually and in combination,

for the selection of novel small molecules or peptides with potential pharmaceutical applications.

What do we require?
You have

• a PhD degree in physics, chemistry or a related discipline complemented by computational chemistry skills;
• a strong background in (bio)chemistry; demonstrated experience with molecular dynamics simulations (ensemble

methods, enhanced sampling, NAMD code, advanced analysis etc.) or the motivation to learn;

• proven record of the ability to conduct high quality research, which is evidenced in the authorship of quality publications

in an area relevant to the project;

• good working knowledge in an area of drug development, personalized medicine, artificial intelligence or a relevant field

and of using high performance computers;

• excellent programming skills;
• excellent communication skills in oral and written English;
• strong initiative and good time management skills.

Our selection will be based on your scientific track record, your vision on this research project, and your ambition and skills. As this Amsterdam project will partly be conducted in the UK we expect willingness to frequently travel abroad.

Our offer
We offer a temporary contract for 38 hours a week, preferably starting on 1-1-2025, for the duration of 12 months. The salary, depending on relevant experience before the beginning of the employment contract, will be between € 3.345 - € 5.278 gross per month, based on a fulltime contract (38 hours a week). This is exclusive 8% holiday allowance and 8.3% end-of-year bonus. A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Dutch Universities is applicable.

Are you curious about our extensive package of secondary employment benefits like our excellent opportunities for study and development? Take a look here.

Questions?
Do you have questions about this vacancy? Or do you want to know more about our organisation?

Please contact: Dr. Lars van der Heide email L.P.vanderheide@uva.nl, Dr. Ioana Ilie email i.m.ilie@uva.nl or Prof. Dr. Peter Coveney email p.v.coveney@uva.nl.

About the Faculty of Science and the Swammerdam Institute for Life Sciences
The Faculty of Science has a student body of around 7,000, as well as 1,600 members of staff working in education, research or support services. Researchers and students at the Faculty of Science are fascinated by every aspect of how the world works, be it elementary particles, the birth of the universe or the functioning of the brain.

The Swammerdam Institute for Life Sciences (SILS) is located at the vibrant Amsterdam Science Park. SILS is one of eight institutes of the University of Amsterdam's Faculty of Science (FNWI). With around 240 employees, SILS carries out internationally high-quality life science research and provides education within various university programs. Research is also carried out in close cooperation with the medical, biotech, chemical, flavor, food & agricultural, and high-tech industries, and revolves around 4 main themes, Cell & Systems biology, Neurosciences, Microbiology and Green Life Sciences.

The van ‘t Hoff Institute for Molecular Sciences (HIMS) is one of eight institutes of the University of Amsterdam (UvA) Faculty of Science. HIMS performs internationally recognized chemistry and molecular research, curiosity driven as well as application driven. This is done in close cooperation with the chemical, flavor & food, medical and high-tech industries. Research is organized into four themes: Analytical Chemistry, Computational Chemistry, Synthesis & Catalysis and Molecular Photonics. The Computational Chemistry Group is one of the research groups within the Van 't Hoff Institute for Molecular Sciences at the University of Amsterdam. Our research focuses on the development and application of advanced molecular simulation and multiscale modelling methodology to obtain novel and improved understanding of the behaviour of (bio)materials, and of complex (bio)chemical and physical processes that are of technological and scientific importance.

The Chemistry Department at University College London (UCL) is one of the top-ranked chemistry departments in the UK and globally. The department covers a wide range of chemistry disciplines, including organic synthesis, chemical biology, computational chemistry, nanotechnology, theoretical and physical chemistry. With over 60 academic staff, UCL Chemistry is renowned for its cutting-edge research, contributing to fields like sustainable chemistry, materials for energy, and chemical physics. The Centre for Computational Science (CCS) at UCL is a leading interdisciplinary hub that focuses on advancing theoretical and computational science across a range of disciplines, including chemistry, physics, materials science, life sciences, and biomedical sciences. Our group leverages state-of-the-art computational techniques, such as high-performance computing (HPC), data-intensive analysis, supercomputing, artificial intelligence and distributed computing environments (including grid and cloud systems) to address complex scientific challenges.

Application
Do you recognize yourself in the job profile? Then we look forward to receiving your application by 31 October 2024. You can apply online by using the link below.

Applications in .pdf should include:

• a motivation letter and CV, including a list of publications,
• contact details of two academic referees.

Please mention the months (not just years) in your CV when referring to your education and work experience.

We will invite potential candidates for interviews in the second half of November 2024.

A knowledge security check can be part of the selection procedure.

(for details: National knowledge security guidelines)

The UvA is an equal-opportunity employer. We prioritize diversity and are committed to creating an inclusive environment for everyone. We value a spirit of enquiry and perseverance, provide the space to keep asking questions, and promote a culture of curiosity and creativity.

38 hours per week

Science Park 904