How do antibiotics penetrate bacteria? How do proteins interact with each other? And how can such biological processes be deciphered using modern computer simulations? One powerful simulation method helping to answer these questions is the Martini force field, which plays a key role in the study of (bio)molecular systems.

On February 13–14, 2025, the Main-Neckar Martini User Meeting 2025 will take place at the Heidelberg Institute for Theoretical Studies (HITS). The event will bring together leading scientists and early-career researchers to exchange insights on recent developments and applications of the Martini force field in molecular simulations.

One of the workshop's organizers is FIAS Fellow Dr. Sebastian Thallmair. The program includes expert talks from leading developers as well as presentations showcasing the latest advances and applications of the Martini force field.

What is Martini?

The Martini force field is a physics-based model that enables researchers to simulate the complex motions and interactions of molecules in biological systems. It is a so-called coarse-grained force field, meaning that instead of representing each atom individually, it groups multiple atoms into larger units. This approach significantly reduces the complexity of molecular systems and the computational effort required. As a result, it allows scientists to study larger systems over longer timescales—something that is often impractical with more detailed models.

Martini is widely used to investigate processes such as how drugs pass through cell membranes or how proteins interact with each other. Recently, the first Martini simulation of a minimal cell was introduced.

The Martini Force field is developed and continuously improved by the Martini Force Field Initiative, an international collaboration of researchers. The workshop is aimed at scientists in the Main Neckar region who wish to deepen their knowledge, explore new applications, and connect with the international research community. It also provides a platform to identify shared interests and challenges, fostering synergies within the region.

Further Information:

For more information about the event, please visit the official workshop website:

Main-Neckar Martini User Meeting 2025

Picture: Comparison of an atomistic and coarse-grained Martini representation of DNA. Groups of atoms are summarized in the Martini representation, so (bio)molecular systems can be simulated faster and more effectively. Copyright: Martini Force Field Initiative