Internship Project
Biology and Life Sciences

Computational Modeling of Drug Detoxification – Building Pharmacological Digital Twins with Agentic AI

Institution
Humboldt-Universität zu Berlin
Faculty of Life Science
Institute for Biology
Subject Area
Pharmacology, Pharmacometrics, Systems Medicine, Digital Twins, Precision Medicine, Agentic AI, Programming, AI-supported Modeling
Availability
03 May – 23 July
17 May – 06 August
31 May – 20 August
14 June – 03 September
 
Internship Modality:
On-site internship in Berlin
 
Project Supervisor(s)
Dr. Matthias König
Academic Level
  • Advanced undergraduate students (from the second year) 
  • Master's students 
  • Doctoral candidates
Language
English
Further Information
Project Type
Academic Research
Project Content
We develop pharmacological digital twins that describe how drugs are absorbed, distributed, metabolized, and eliminated in the human body. A particular focus is on the liver and kidneys and their role in drug detoxification. Using physiologically based pharmacokinetic (PBPK) models, we combine physiological knowledge, drug properties, and clinical data to simulate drug behavior in different patients. These models can help study drug–drug interactions, organ impairment, aging, and other sources of variability.
In 2027, we will increasingly use agentic AI workflows to support literature analysis, data extraction, scientific programming, model development, testing, and documentation. The intern will learn how to combine AI-assisted workflows with critical scientific reasoning. The aim is to build transparent, reproducible models that can support personalized medicine and model-informed drug development.

Tasks for Interns
The intern will develop a PBPK model for a selected drug. Typical tasks include literature research, extraction and curation of pharmacokinetic data, model implementation in Python, parameter estimation, validation against clinical data, and simulation of relevant scenarios such as drug interactions or organ impairment.

A central part of the project will be the use of agentic AI for scientific programming and model development. The intern will learn how to use, supervise, and critically evaluate AI-supported workflows for coding, testing, documentation, and analysis.

Academic Level
  • Advanced undergraduate students (from the second year) 
  • Master's students 
  • Doctoral candidates
Requirements
  • Basic programming skills, preferably Python
  • STEM background and interest in quantitative biomedical research
  • Interest in pharmacology, physiology, or computational modeling
  • Ability to work carefully with scientific literature and data
  • Good English, Curiosity, independence, and willingness to learn new methods

No previous experience with AI, large language models, or agentic programming is required. These skills will be taught during the internship.

Expected Preparation
Students should refresh basic Python skills and familiarize themselves with introductory pharmacokinetics.

Recommended preparation:
  • Python basics
  • Introductory PK/PD material: https://matthiaskoenig.github.io/dhpe-pkpd/
  • Introductory lecture: https://www.youtube.com/watch?v=6faFifoXUeo

No prior preparation in AI or agentic programming is required.

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For more information on the Humboldt Internship Program or the project, please contact the program coordinator.