Abstract: The interaction of protein molecules and solid surface plays an important role in biotechnology and related fields.The complexity of this system makes it impossible to obtain all useful information from experiments up to now.The principle of the interaction can be investigated on the molecular scale with the help of molecular simulation.This paper presents a brief review on the computer simulation investigation of the interaction between the solid surface and protein molecules，including the models of the proteins，the principle of the interaction between solid surface and protein molecules and the orientation and conformation of the adsorbed protein molecules on the surface.A briefly discussion of the applications of molecular simulation in this field is also presented.