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 …
Interactions between atoms have a major influence on the chemical properties of molecular systems. While covalent interactions impose the structural integrity of molecules …
Eighty years after its experimental discovery, a description of induced nuclear fission based solely on the interactions between neutrons and protons and quantum many-body methods …
The introduction of robotic arms in additive manufacturing enables the scaling up of three- dimensional (3D) printing processes and the realization of nonplanar path geometries. As a …
A Gyulassy, A Knoll, KC Lau, B Wang… - IEEE transactions on …, 2015 - ieeexplore.ieee.org
Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined …
Detecting and analysing protein cavities provides significant information about active sites for biological processes (eg protein–protein or protein–ligand binding) in molecular graphics …
T Weinkauf, D Günther - Computer Graphics Forum, 2009 - Wiley Online Library
Salient edges are perceptually prominent features of a surface. Most previous extraction schemes utilize the notion of ridges and valleys for their detection, thereby requiring …
Mesh segmentation has a variety of applications in product design, reverse engineering, and rapid prototyping fields. This paper presents a novel algorithm of mesh segmentation …
Scientific datasets obtained by measurement or produced by computational simulations must be analyzed to understand the phenomenon under study. The analysis typically …