69 search results - page 2 / 14 » Visualizing Dynamic Molecular Conformations |
WABI
2005
Springer
13 years 11 months ago
2005
Springer
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
BMCBI
2008
13 years 5 months ago
2008
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
JCC
2006
13 years 5 months ago
2006
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
ICCS
2007
Springer
13 years 12 months ago
2007
Springer
Abstract. We extend the hyperdynamics method developed for lowdimensional energy-dominated systems, to simulate slow dynamics in more general atomistic systems. We show that a few ...
BIOINFORMATICS
2006
13 years 5 months ago
2006
Motivation: In many proteins, helix-helix interactions can be critical to establishing protein conformation (folding) and dynamics, as well as determining associations between pro...