This core unit provides a comprehensive computational analysis of all receptors of interest in the CRC. In an iterative loop, Z04 will construct computational models consistent with experimental data combining ROSETTA modeling, molecular dynamics simulation, and evolutionary analysis. From these models, we will derive testable hypothesis for the next iteration of experimental validation in the respective projects. Lastly, we will integrate information from these approaches into a holistic model that creates experimentally testable hypothesis. Given that a set of established computational protocols will need to be applied repetitively and timely to a large number of biological systems, this work is best conducted in a core unit.