Structure and Phase Behavior of Protein Solutions

Sammanfattning: The complexity of proteins is reflected in the structure of their fluids. This is seen from strongly inhomogeneous distributions about the single protein. Using molecular simulations of protein models, based on experimental structures, the present work probes the directional forces between proteins. Emphasis is made on the mutual orientation of proteins and the interplay of electrostatic and short ranged van der Waals forces. We show that this may lead to non intuitive mutual amplification of the interactions - resulting in the formation of stereospecific aggregates - as well as having importance for the phase behavior of oppositely charged proteins.