Hydrogen-bonded Systems, Proton Transfer And Energy Transfer In Proteins By Computer Simulation,

Theory of the proton transfer in hydrogen-bonded systems by prof. Pang Xiao-feng have been firstly introduced. After this, we numerically simulate the influences of stable electric field and impurity and temperature and damping on the behaviors of the proton transfer in this system by fourth-order Ruage-Kutta method and Matlab language on the basis of the dynamical equations of Pang's model. The results obtained show that the mobility of the new soliton can be affected by stable electric field and impurity and damping, but the soliton can stably move .Investigation on temperature-dependence of the mobility of the soliton shows that the mobility of soliton reaches a maximum at about 190K and subsequently decreases to a minimum at about 210K. This behavior is in qualitative agreement with experimental data. From these results we prove the new theory is correct, and can explain the proton transfer in hydrogen-bonded systems commendably. We also simulate numerically the properties of the solitons transported the bio-energy in the protein molecules chains by fourth-order Ruage-Kutta method and Matlab language. In this simulation we studied the states and properties of the soliton in the conditions of changes of the wave function with one quantum and of the couple constant χ2=0. The results obtained show that the soliton is not thermally stable at biological temperature 300K. Thus we obtain from these investigations that the Pang's improved theory of the bio-energy transport in the protein molecules chains is the only right theory.