Spatiotemporal multiscale molecular cavity visualization and visual analysis

• Published in: Journal of visualization Vol. 23; no. 4; pp. 661 - 676
• Main Authors: Guo, Dongliang, Han, Dongxue, Xu, Ximing, Ye, Kang, Nie, Junlan
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.08.2020; Springer Nature B.V
• Subjects: Classical and Continuum Physics; Computer Imaging; Data analysis; Domains; Engineering; Engineering Fluid Dynamics; Engineering Thermodynamics; Heat and Mass Transfer; Holes; Multiscale analysis; Pattern Recognition and Graphics; Proteins; Regular Paper; Subject specialists; Vision; Visualization; Molecular dynamics; Molecular cavity; Interaction; Multiscale; Visual analysis

The analysis of molecular cavities, which are transport pathways in protein structures, is critical to the understanding of molecular phenomena. However, this work is challenging due to the high complexity and diversity of the macromolecular shapes in dynamic processes. In this paper, we propose a n...