Automatic 3D cluster modelling of COVID-19 through voxel-based redistribution

Computational analysis of virus dynamics provides a non-contact environment for the study of the vital object. Cluster modelling is an essential step to investigate the properties of a group of viruses, and an automatic approach is required for massive 3D data processing. The morphological complexity of individual virus limits the application of smooth function algorithms with a regular-shaped assumption. This paper proposed a voxel-based redistribution approach to generate the virus cluster with COVID-19 input automatically. Representative elementary volume analysis was performed to address the statistical influence from the digital sample size. Coordination number analysis and surface density measurement were conducted with COVID-19 input and spherical input for comparison. The proposed approach is in natural compatibility with the lattice Boltzmann method for fluid dynamics analysis. A virtual permeation simulation was performed with the COVID-19 cluster and spherical cluster to demonstrate the necessity to include spike protein structure in the cluster modelling.