Strategy adaptive protein conformation space optimization method based on transfer entropy

A strategy adaptive protein conformation space optimization method based on a transfer entropy is disclosed. The method comprises the following steps of 1) giving input sequence information and a protein force field model; 2) initializing; 3) generating a background point; 4) carrying out clustering operation; 5) calculating the transfer entropy; 6) carrying out strategy adaptive operation; 7) carrying out selection operation; and 8) determining whether a termination condition is satisfied, terminating if condition is satisfied and output all optimal solutions. In the method, a conformation solution space is divided into subspaces corresponding to different local optimum solutions, the historical evolutionary information of population is combined to establish the transfer entropy so as tomeasure the exploration degree of the population to the conformation solution space, and then, an entire search process is adaptively divided into two phases, and a phase-specific conformation generation strategy is adopted t