CLAS: Colby Liberal Arts Symposium

Biological Carbon Fixation from the Chemical, Physical, and Computational Sciences

Diamond 221

Computational chemistry approaches can reveal the relationship between the structure of an enzyme and its functionality within a larger system. Rubisco is the primary catalyst of the addition of carbon dioxide from the atmosphere to the chemical building blocks of plants. Its ability to perform carbon fixation in autotrophs shapes the modern carbon cycle, climate change, and our understanding of past environments. Here, we use computer models of the rubisco enzyme to explore its structure-function relationship. In this one year project, I am investigating how computer programs can capture physical systems to reveal how small changes can result in large-scale effects. In particular, I will present two algorithms I have used to represent these systems: numerical integration and free-energy analysis. I will consider how to develop these methods for further study.

https://digitalcommons.colby.edu/clas/2015/program/455