Industrial PhD position – Drugging the undruggable: bridging AI and molecular dynamics simulations to discover small molecule binders for difficult-to-drug proteins

3 weeks ago

Gothenburg, Västra Götaland, Sweden AstraZeneca Full time

Are you excited about advancing your career and making a significant impact in the field of data-driven life science? Here's a great opportunity for you - we are looking for an Industrial PhD student to join a project that harnesses AI and molecular dynamics simulations to discover small molecule binders for challenging-to-drug proteins. This collaboration involves AstraZeneca (AZ), Stockholm University (SU), and Chalmers University of Technology (CTH), funded by the Data-Driven Life Science (DDLS) program. The selected candidate will be part of the DDLS Research School and a PhD student at SU, with support from experts at AZ and academic mentors at SU and CTH. This position is based in Gothenburg, Sweden.

Accountabilities

In this role, you will conduct molecular dynamics (MD) simulations to explore protein flexibility. Using deep learning techniques such as diffusion models, you will analyze the trajectory data from MD simulations to understand protein flexibility. Leveraging the deep learning model, you will pinpoint druggable regions on the protein surface and utilize the generative AI tool REINVENT to design potential binders. Additionally, you will present your discoveries in research papers for international conferences and scientific publications.

Essential Requirements

  • Master's degree in a relevant field (e.g., Chemistry, Biophysics, Biotechnology, Data Science & AI, etc)
  • Proficiency in a Linux environment
  • Experience with PyTorch or a similar deep learning framework

To excel in this role, you must demonstrate a high level of autonomy in your work. Strong collaborative skills, a professional demeanor, and adeptness in analyzing complex problems are essential qualities.

Desired Qualifications

  • Understanding of statistical mechanics
  • Familiarity with data science and machine learning
  • Experience in applying deep learning in life science
  • Proficiency in GROMACS or similar tools for molecular dynamics
  • Solid programming skills, particularly in Python

What's the next step?

Please submit your application by June We are reviewing applications regularly, so apply promptly.

If you are passionate about scientific innovation and want to contribute to developing life-changing medications, seize this opportunity to join our team. Become part of a group that is dedicated to making a positive impact on patients' lives. Apply now.

Date Posted

24-maj-2024

Closing Date

09-juni-2024Our goal is to cultivate an inclusive and fair environment at AstraZeneca and Alexion. We strive to create a sense of belonging for everyone, beginning with our recruitment process. We welcome applications from all qualified candidates, irrespective of background. Reasonable adjustments and accommodations are available to ensure all candidates can perform optimally. If you require any adjustments or accommodations, please indicate so in the application form.

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