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The spreading of SARS-CoV-2 virus resulted the COVID-19 pandemic, which has caused more than 5 millions of death globally. Several major variants of SARS-CoV-2 have emerged and placed challenges in controlling the infections. The recently emerged Omicron variant raised serious concerns about reducing efficacy of antibodies or vaccines, due to its vast mutations. We modelled the complex structure of human ACE2 protein and the receptor binding domain of Omicron variant, then conducted atomistic molecular dynamics simulations to study the binding interactions. The analysis shows that the Omicron variant RBD binds more strongly to the human ACE2 protein than the original strain. The mutation at the ACE2-RBD interface enhanced the tight binding by increasing hydrogen bonding interaction and enlarging buried solvent accessible surface area.

High-Frequency Pressure Fluctuation (HFPF) is an extensively observed hydraulic phenomenon in pumped-storage power stations and water conveyance projects. The investigation of the propagation characteristics of the pressure perturbation is of great significance for the safe operation of hydraulic facilities. In this study, a one-dimensional (1D)–three-dimensional (3D) coupling model is established based on the combination of the Method of Characteristics (MOC) and Computational Fluid Dynamics (CFD) and implanted in the open source software OpenFOAM. The established model in this study implants the dynamic mesh module into the original OpenFOAM solver sonicLiquidFoam and presents the complete solution procedure of the CFD model with the dynamic mesh considered. The vibration of the pipe walls modeled by the mesh motion is employed to numerically generate the HFPF in the hydraulic system, which could not be implemented in the traditional MOC model. The independence of the pressure perturbation in the pipeline system is validated by the time-domain pressure variation. The graphical method is applied to describe the multiple reflection and superposition characteristics of the traveling wave in a simplified hydraulic system. Based on this, the mechanism of the superimposed characteristic of the traveling and standing pressure waves in the hydraulic system are analyzed, and the theoretical superimposed time-domain processes and the variations of the pressure oscillation magnitude are analyzed and presented. The 1D–3D coupling method and the theoretical analysis method could be referenced by other complex hydraulic systems.

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