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FitMultiCell: simulating and parameterizing computational models of multi-scale and multi-cellular processes.

Emad Alamoudi1, Yannik Schälte1,2,3, Robert Müller4

  • 1Life and Medical Sciences Institute, University of Bonn, Bonn 53113, Germany.

Bioinformatics (Oxford, England)
|November 10, 2023
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Summary
This summary is machine-generated.

We developed FitMultiCell, an open-source pipeline for modeling, simulating, and parameterizing complex multi-scale biological models. This tool addresses computational challenges, enabling efficient analysis of multi-cellular processes for systems biology applications.

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Area of Science:

  • Systems Biology
  • Computational Biology
  • Biophysics

Background:

  • Biological tissues exhibit complex dynamics requiring multi-scale models for analysis.
  • Parameter inference for these models is computationally intensive, hindering quantitative understanding and prediction.
  • Existing methods like approximate Bayesian computation (ABC) face scalability issues with complex simulations.

Purpose of the Study:

  • To present FitMultiCell, an open-source pipeline for efficient modeling, simulation, and parameterization of multi-scale models.
  • To provide a user-friendly and scalable solution for analyzing multi-cellular processes.
  • To facilitate quantitative understanding and hypothesis testing in systems biology.

Main Methods:

  • Integration of the Morpheus modeling and simulation tool with the pyABC statistical inference tool.
  • Development of a modular pipeline for seamless workflow execution.
  • Implementation of high-performance infrastructure for handling computationally demanding problems.
  • Introduction of a novel standard for formulating parameter inference problems to ensure reproducibility.

Main Results:

  • Demonstrated the computational efficiency and user-friendliness of the FitMultiCell pipeline.
  • Showcased the pipeline's broad applicability across various biological problems.
  • Validated the pipeline's ability to handle the full workflow from modeling to parameterization.
  • Ensured reproducibility and reusability through a standardized problem formulation.

Conclusions:

  • FitMultiCell offers a scalable and efficient solution for multi-scale modeling and parameterization in multi-cellular systems.
  • The pipeline significantly benefits image-based systems biology research.
  • FitMultiCell enhances the ability to quantitatively analyze, predict, and understand complex biological processes.