Cancer has become a significant global health threat, with traditional treatments encountering challenges such as drug resistance and side effects. Cold Atmospheric Plasma (CAP) technology has garnered considerable attention for inducing apoptosis in cancer cells through Reactive Oxygen Species (ROS) and Reactive Nitrogen Species (RNS), while inflicting minimal damage on normal cells. However, the interaction mechanism between CAP and cancer cell membranes remains unclear. This study investigates the microscopic mechanism of the interaction between ROS and membrane protein, utilizing molecular dynamics simulations combined with the Reactive Force Field (ReaxFF). The protein selected for the study is folate receptor β (FRβ), and the ROS include O atoms, OH radicals, and H₂O₂ molecules. The results reveal that (1) under the influence of ROS, FRβ undergoes dehydrogenation reactions, resulting in the cleavage of N-H, C-H, and O-H bonds. In this process, O atoms and OH radicals capture H atoms from the protein, while the protein captures H atoms from the H₂O₂ molecules. Dehydrogenation reactions lead to the formation of unsaturated atoms and encourage the generation of C = O double bonds and N-O single bonds. (2) As the concentration of O atoms increases, the frequency of dehydrogenation reactions rises; however, particle utilization initially increases and then decreases, demonstrating the dual effect of O-atom concentration on reaction efficiency.