Visualization plays a crucial role in molecular and structural biology. It has been successfully
applied to a variety of tasks, including structural analysis and interactive drug design. While …

Time series data visualization integrates data analysis and mining, computer graphics,
interaction design and other technologies and methods. This paper first analyzes the …

Molecular docking is a key technique in various fields like structural biology, medicinal
chemistry, and biotechnology. It is widely used for virtual screening during drug discovery …

Molecular Dynamics (MD) simulation is often used to study properties of various chemical
interactions in domains such as drug discovery and development, particularly when …

We present sMolBoxes, a dataflow representation for the exploration and analysis of long
molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a …

Advances in simulations, combined with technological developments in high-performance
computing, have made it possible to produce a physically accurate dynamic representation …

Combining elements of biology, chemistry, physics, and medicine, the science of human
physiology is complex and multifaceted. In this report, we offer a broad and multiscale …

Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical
research. They provide critical insights into how a physical system evolves over time given a …

Information communication and visualization practices reflect two centuries of developments
of conventions and best practices which may not be reflective of global audiences' methods …

When studying protein‐ligand interactions, many different factors can influence the
behaviour of the protein as well as the ligands. Molecular visualisation tools typically …