AMATH383 Final Paper

This paper describes multiple methods to compute the solvent exposed surface area (SASA) of organic macromolecules (in particular proteins). This is a value which can be used as a proxy for the protein's enthalpy of solvation, among other things.
We also compare performance and accuracy of a few different algorithms with a 100 PDB dataset. Thus we have data on some of the many things taken into consideration when deciding how to define and compute SASA.
The code requires PyRosetta to run. PyRosetta is a python wrapper for the well-known protein modelling package Rosetta