Cosolvent molecular dynamics simulations for drug discovery

This PHD is a collaboration between IMEC (Leuven) and the University of Antwerp, Laboratory of Medicinal Chemistry

We are seeking a highly motivated and talented PhD candidate to join our collaborative research project between the AI & Algorithms group at IMEC (Leuven) and the University of Antwerp’s Laboratory of Medicinal Chemistry (UAMC), under the guidance of Prof. Hans De Winter. This is a unique opportunity to work at the intersection of cutting-edge technology and medicinal chemistry, contributing to the development of novel inhibitors for therapeutic protein targets through computational methods.

Job Description

The successful candidate will be involved in a research project focused on the development and validation of software tools to automate cosolvent molecular dynamics simulations. The goal of this project is to accelerate the identification and optimization of inhibitors for several key therapeutic protein targets. You will:

• Develop, implement, and validate computational methods, machine learning techniques and software tools to streamline cosolvent molecular dynamics simulations.
• Collaborate closely with multidisciplinary teams at IMEC and the University of Antwerp to integrate computational approaches with experimental data.
• Contribute to the design and execution of research studies, analyzing data and interpreting results to advance the discovery of novel drug candidates.
• Prepare research articles for publication in peer-reviewed journals and present your findings at international conferences.
• Engage in PhD courses and training sessions offered by the University of Antwerp and IMEC, enhancing both your scientific and transferable skills.

This PhD project offers a stimulating research environment, access to state-of-the-art facilities, and the opportunity to contribute to innovative computational drug discovery methodologies that have real-world therapeutic implications.

Job Profile

• Educational Background: You hold a European master’s degree in Pharmaceutical Sciences, Biomedical Sciences, Biochemistry, Chemistry, Physics, or Engineering. The degree must be equivalent to five years of study (Bachelor + Master) in the European Union. Candidates with excellent (‘honors’-level) grades are preferred.
• Skills and Expertise:
  • A strong interest in computational drug design and molecular dynamics simulations is essential.
  • Proficiency in coding with Python or similar programming languages is highly desirable.
  • Familiarity with molecular modeling software and computational chemistry tools, such as pharmacophore screening, will be an advantage.
  • Strong analytical and problem-solving skills with a keen interest in research and innovation.
  • Ability to work independently as well as collaboratively in a multidisciplinary research team.
  • Excellent communication skills in English, both written and oral.
  • Self-motivated, organized, and capable of meeting deadlines.

For further information, please contact Prof. Hans De Winter at hans.dewinter@uantwerpen.be.