Molecular surfaces play an important role in studying the interactions between molecules. Visualizing the dynamic behavior of molecules is particularly interesting to gain insight...
Norbert Lindow, Daniel Baum, Steffen Prohaska, Han...
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H...
An interactive visualization of weighted three-dimensional -hulls is presented for static and dynamic spheres. The -hull is analytically computed and represented by a triangulated...
Amitabh Varshney, Frederick P. Brooks Jr., William...
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...