The Method of Mathematical Modelling of the Process of RNA Secondary Structures Formation.
Abstract:
Universal method of acceleration of calculations in tasks of mathematical modelling of biological macromolecules structures formation process in living cell (nucleic acids, proteins) is described. The way of such processes running is determined by the ratio of velocity of molecular chain lengthening and the velocity of structure bonds breaking and arising. Computational complication of simulation in this task is estimated as N5, where N - is full length of molecular chain. The task is reduced to multiple calculations of locally optimal path on an oriented and dynamically changed graph, which describes possible inter-structural transitions. The set of such transitions in every graph vertex monotonously growth according to the growth of molecular chain. This property allows us to decrease computational expenditures up to N4. The proof of method correctness is given. The method possible variants are analysed. This method has used in mathematical modelling and investigation of process of various ribonucleic acids (RNA) secondary structures formation.
