Molecular structure computation involves an NP-complete algorithm. The order of the distance matrix is especially important, and reduced order processing is attempted to accelerate the folding computation. In my previous researches, the Ullman algorithm and the scoring function with force field simulation are used to reduce the dimensionality of the determinant and evaluate some important parameters for molecular docking acceleration. Additionally, the emergence of brand-new molecular structure processing is expected, and in particular, a simpler and more effective computation model can be established. This paper succeeds in using the Langevin Equation and Laplace's theorem for reducing molecular order, and employing Lyapunov theorem to delete some points that have local minimum energy for accelerating the calculation of protein folding.
關聯:
International Journal of Innovative Computing, Information and Control,
