Computational Biology Projects


In-vivo and in-silico dictyostelium development. Single-celled organisms self-organize into a multicellular blob. The blob forms a stalk with spores at the end that disperse for reproduction. The inset shows a Cellular Potts Model-based simulation of the spore formation. (images from dictyBase)

OSL/Biocomplexity Institute Collaboration


Since 2003, the OSL has been collaborating with the Biocomplexity Institute at Indiana University. The main research focus at the Biocomplexity Institute is the creation of computational models of chicken-limb development using the Cellular Potts Model (CPM), an extension to the Potts model for (biological) cell-level modeling. Using data gathered from in-vivo experiments, scientists have successfully modeled complex behaviors such as cell-sorting and chemotaxis. My main focus in this collaboration has been researching and developing software and support infrastructures that allow the scientists to focus on science, not software engineering.

Over the course of the last two years, we helped expand the scope of the resources available to the local scientists. One key aspect of this was identifying university resources that can contribute directly to the development process and helping to manage these relationships. This has led to ongoing partnerships with both the AVL and SDAL at IUPUI for visualization and high-performance computing support.

In the summer of 2004, we began to move away from the home-grown code traditionally developed by scientists to CompuCell3D, a CPM infrastructure developed by the LCLS at Notre Dame. The LCLS and Biocomplexity Institute are both partially funded under the same grant and CompuCell3D is a successful result of that funding. In order to support the transition, I extended CompuCell3D to support a Python scripting interface for rapid prototyping and visualization. I also worked closely with the LCLS by providing architectural feedback and future requirements for CompuCell3D. Recently, we hired a full-time developer to take over most of the development tasks at IU.

An overview of our research collaboration is included in this poster:
  • Research Collaboration Poster PPT
  • Support Movies (tar.gz)
CompuCell3D

Links to CompuCell3D educational and development material:
  • CompuCell Introduction PPT
  • UML Inheritance Diagram PDF
  • Config file example (xml)
  • CompuCell3D Python Prototype PDF
Visualization

Links to visualization examples:
  • Charlie Moad's vis prototypes (go to projects->Potts Cellular Simulation) (html)
  • Vis Prototypes (html)
  • Chemical Concentration (html)
Requirements/Design

Artifacts from the early days of the collaboration:
  • Limb 3D pseudo-UML (html)
  • Potts 2.0 Requirements Notes PDF
  • Limb 3D Source Code and Data (html)
  • Biocomplexity SourceGrid (sg.osl.iu.edu) (login required)
  • CompuCell3D Python Prototypes (tar.gz)

Typed Diffusion Limited Aggregation (Typed DLA)


Diffusion limited aggregation (DLA) is a technique that models random particle aggregation. In the basic algorithm, a single particle is released on a random walk and stops when it collides with an existing stationary particle. The resulting structures are similar to many patterns found in nature. In this project, we extend the DLA model to include 'typed' particles. If two incompatible particles collide, the moving particle continues its walk. We measure the effect of typed particles by measuring the fractal dimension of the resulting images. This work was done as the course project for P700 - Fractals and Pattern Formation.
  • Typed DLA Presentation PDF
  • Typed DLA Paper PDF