69 search results - page 4 / 14 » Visualizing Dynamic Molecular Conformations |
CCCG
1998
13 years 8 months ago
1998
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...
IV
1999
IEEE
13 years 11 months ago
1999
IEEE
We have developed atomic-scale material models capable of melting, crystallization and amorphization. These models feature molecular dynamics governed by Langevin equations of mot...
CGF
2010
13 years 7 months ago
2010
Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical pro...
APVIS
2011
2011
Loose capacity-constrained representatives for the qualitative visual analysis in molecular dynamics
12 years 7 months ago
Molecular dynamics is a widely used simulation technique to investigate material properties and structural changes under external forces. The availability of more powerful cluster...
VIS
2004
IEEE
14 years 8 months ago
2004
IEEE
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...