Most enzyme modification strategies focus on designing the active sites or their surrounding
structures. Interestingly, a large portion of the enzymes (60%) feature active sites located …

Visualization of molecular structures is one of the most common tasks carried out by
structural biologists, typically using software, such as Chimera, COOT, PyMOL, or VMD. In …

Visualization applications nowadays not only face increasingly larger datasets, but have to
solve increasingly complex research questions. They often require more than a single …

We present a general, robust, and efficient ray-casting-based approach to triangulating
complex manifold surfaces arising in the nano-bioscience field. This feature is inserted in a …

We present an efficient algorithm for computation of surface representations enabling
interactive visualization of large dynamic particle data sets. Our method is based on a GPU …

Interactions between atoms have a major influence on the chemical properties of molecular
systems. While covalent interactions impose the structural integrity of molecules …

In this report we review and structure the branch of molecular visualization that is concerned
with the visual analysis of cavities in macromolecular protein structures. First the necessary …

Detecting and analysing protein cavities provides significant information about active sites
for biological processes (eg protein–protein or protein–ligand binding) in molecular graphics …

Close collaboration with other scientific fields is an important goal for the visualization
community. Yet engaging in a scientific collaboration can be challenging. The physical …

Visual analysis is widely used to study the behavior of molecules. Of particular interest are
the analysis of molecular interactions and the investigation of binding sites. For large …