Protein Structural Superpositioning
2008-2011 »Some more of my dissertation. I helped develop a mathematical model to simultaneously superimpose (i.e., put in the same reference frame) multiple atomic-level protein structures. In particular, I worked out what to do when all the structures aren’t the same size.
Above is a figure from our paper, showing different superpositions using different methods on some simulated data (actual structures with some parts of the structure removed). ‘EM’ is our solution, which is much closer to the superposition of the whole structure (‘Complete Data’) than the ‘conventional’ solution, which only uses the part of the structure that is present in all structures.