EXIST Project

FormulAIte

Since July 2026, we have been funded by an EXIST Grant "FormulAIte" to develop RNA nanocarriers by machine learning and molecular dynamics simulations under grant number 03EFBY0380. The project consolidates previous work from our ERC-CoG project "RatInhalRNA" with the aim of more rationally designing polymer and lipid nanocarriers for RNA by computational and limited experimental work.

Our core objective is to significantly reduce wet-lab efforts by leveraging machine learning models trained on experimental data to predict improved nanocarrier formulations, including mRNA lipid nanoparticles (mRNA-LNPs). This approach enables a faster, more efficient, and data-driven workflow for formulation optimization.

 

 

 

At the heart of our platform is ALINA (“Active Learning Inference for Nucleic Acids”), an advanced framework that integrates classical machine learning with physics-informed molecular dynamics simulations. By combining data-driven and mechanistic insights, ALINA enhances predictive accuracy while substantially shortening development timelines.

We are currently progressing across five key milestones: refinement of our prior models, establishment of strategic partnerships, development of the ALINA pipeline as a minimum viable product, execution of an initial pilot study, and achievement of proof of concept.

If you are developing an RNA-based therapeutic but do not yet have a formulation strategy in place, we would be excited to collaborate. Please reach out to Dr. Joschka Müller () or Dr. Felix Sieber-Schäfer () to explore potential partnerships and discuss how our platform can support your project.

Meet the FormulAIte-Team

Team-Members from left to right: Dr. Joschka Müller, Florian Orbach, Prof. Dr. Olivia Merkel, Dr. Felix Sieber-Schäfer, Dr. Min Jiang

Foto: Susi Petzel

Project-related publications:

Felix Sieber-Schäfer, Lasse Hagedorn, Leon Reger, Katharina Möbius, Benjamin Winkeljann, Olivia M Merkel: Meta-Learning as a Promising Strategy for Lipid Nanoparticle Optimization and Ionizable Lipid Discovery.
Nano Letters. 2026; https://doi.org/10.1021/acs.nanolett.6c00782

Min Jiang, Felix Sieber-Schäfer, Simone P Carneiro, Dana Matzek, Anny Nguyen, Diana Leidy Porras-Gonzalez, Arun Kumar Verma, Miriam Kolog-Gulko, David C Jürgens, Gerald Burgstaller, Bastian Popper, Xun Sun, Olivia M Merkel*:  A hybrid polymeric system for pulmonary mRNA delivery: Advancing mucosal vaccine development.
Cell Biomaterials. 2026; 100311. DOI: 10.1016/j.celbio.2025.100311 

Sieber-Schäfer F, Binder J, Münchrath T, Steinegger KM, Jiang M, Winkeljann B, Friess W, Merkel, O.M.*: From Bits to Bonds: High-Throughput Virtual Screening of Ribonucleic Acid Nanocarriers Using a Combinatorial Approach of Machine Learning and Molecular Dynamics. 
J Am Chem Soc. 2025; 147(49):44903-44915. doi: 10.1021/jacs.5c12694

 

External Links: Please note that by clicking on external links, you will leave our website and be directed to third-party websites. We have no control over and assume no responsibility for the content, policies, or practices of any external websites. Access to such websites is at your own risk.