Molecular self-organization: A single molecule aspect

•Serial conformational cycles of a single reacting macromolecule are simulated.•The system parameters are chosen to admit the molecular self-organization effects (bistability of reaction regimes).•The primary statistical characteristics (OTD and ACF) are calculated within either stochastic or evolution equations.•Pronounced peculiarities of the OTD and ACF, indicative for the molecular self-organization phenomena, are revealed.