Mathematical Modeling and Analysis
Although the definition of life is still controversial, there is general agreement that a chemical assembly of molecules can be considered alive if it can ingest resources and convert them into building blocks; has the ability to grow and self-reproduce; and can evolve. In the design recently proposed by Rasmussen and Chen [Science 2004, 303 963] the assembly or protocell could be as simple as a small micellar surfactant aggregate acting as a container by anchoring an informational molecule to its exterior and incorporating a metabolism within the oily interior. We present several examples of modeling such a system with molecular dynamics computer simulations.