Department: Department of Chemistry
Regime Full-time

Let’s shape the future – University of Antwerp

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Project Description

Finding new drugs is an extremely demanding and time-consuming task for industry and academia. New therapeutics are developed by combining and screening millions of organic compounds, and searching for the potential of each one to alter a disease process. When candidates are found, the process to determine potency, selectivity and toxicity takes place These steps are essential for starting in vivo and in vitro testing. Thus, computational modelling has become a very useful tool due to the power of cutting years off in the drug discovery process. This is proven by the power of physics-based computational methods and machine learning, that when coupled together dramatically speed up the search for active compounds that should be tested experimentally. With this project we want to broaden the application range of conceptual DFT and combine it with machine learning methods, with the aim of creating a reactivity-based tool for cheminformatics which can accurately predict the active sites of proteins, sets of binding drugs, toxicity, and improving the current quantitative structure activity relationship (QSAR) methods.

The combination of conceptual DFT descriptors with machine learning is a unique approach that aims to provide reactivity-based information about which drugs are more likely to interact and react with an active site. Even though conceptual DFT is not widely used for chemical predictions of reactivity, some advances are being made in this direction. However, the current developments aim to model small organic reactions in vacuum, and for large molecules such as an enzyme, a fragmented approach (vide infra) is necessary. We aim to push the current applicability of conceptual DFT methods, by developing a fragmented approach to predict the reactivity of large molecules, and, hence, approaching a concepts-meet-the-numbers approach.

The Department of Chemistry in the Faculty of Science and Engineering is looking for a full-time (100%) doctoral scholarship holder in the field of theoretical chemistry

Position

• You will work actively on the preparation and defence of a PhD thesis theoretical chemistry with machine learning applied to the design of novel drugs.
• You will publish scientific articles related to the research project.
• You will carry out a limited number of teaching and research support tasks for the department of chemistry.

Profile

• You hold a Master degree in chemistry, biochemistry, physics, or related field or you will have obtained it by the time you start work.
• You can demonstrate excellent study results.
• Your teaching competences are in line with the University of Antwerp’s educational vision.
• Your research qualities are in line with the faculty and university research policies.
• You act with attention to quality, integrity, creativity and cooperation.
• You are proficient in English, and eager to learn to Dutch.

What we offer

• We offer a doctoral scholarship for a period of 24 months. Following a positive evaluation, the scholarship can be renewed for another 24 months.
• The planned start date is 1^st January of 2024 or as soon as possible after that date.
• Your monthly scholarship amount is calculated according to the scholarship amounts for doctoral scholarship holders on the pay scales for Contract Research Staff (Dutch: Bijzonder Academisch Personeel, BAP).
• You will do most of your work at Groenenborgerlaan Campus in a dynamic and stimulating working environment.
• Find out more about working at the University of Antwerp here.

Want to apply?

• You can apply for this vacancy through the University of Antwerp’s online job application platform up to and including 28^th of September of 2023  (by midnight Brussels time). Click on the ‘Apply’ button, complete the online application form and be sure to include the following attachments: a motivation letter, your academic CV, two names and contacts of references.
• The selection committee will review all of the applications as soon as possible after the application deadline. As soon as a decision has been made, we will inform you about the next steps in the selection procedure.
• If you have any questions about the online application form, please check the frequently asked questions or send an email to jobs@uantwerpen.be. If you have any questions about the job itself, please contact Dr. Ana da Cunha (ana.cunha@uantwerpen.be).

The University of Antwerp received the European Commission’s HR Excellence in Research Award for its HR policy. We are a sustainable, family-friendly organisation which invests in its employees’ growth. We encourage diversity and attach great importance to an inclusive working environment and equal opportunities, regardless of gender identity, disability, race, ethnicity, religion or belief, sexual orientation or age. We encourage people from diverse backgrounds and with diverse characteristics to apply.

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